tetrahydrocyclopenta[c]pyrrole-1,3(2H,3aH)-dione
Basic information
- CAS
5763-44-0- Standard SMILES
O=C1NC(=O)C2CCCC12- InChIKey
QCWDCTDYSDJKTP-UHFFFAOYSA-N- Molecular formula
- C7H9NO2
- Average molar mass
- 139.15 g/mol
- Monoisotopic mass
- 139.06332853
Names & identifiers
- Preferred name
- tetrahydrocyclopenta[c]pyrrole-1,3(2H,3aH)-dione
- IUPAC
- 4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
- English name
- Cyclopentane-1,2-dicarboximude
- Molecular formula
- C7H9NO2
- Molecular weight
- 139.15
Names & synonyms
5763-44-0tetrahydrocyclopenta[c]pyrrole-1,3(2h,3ah)-dioneEINECS 227-285-6Tetrahydrocyclopenta(c)pyrrole-1,3(2H,3aH)-dioneEC 227-285-6RefChem:188659227-285-6Cyclopentane-1,2-dicarboximudeCyclopentane o-dicarboxylicimide4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione1,2-CYCLOPENTANEDICARBOXIMIDEMFCD06411094
Show more names
Gliclazide Impurity 18Sodium 2-ethyl-3-oxobutanoateCycIopentane-1,2-dicarboximude1,2-Cyclopentane DdicarboximudeSODIUM ACETATE TRIHYDRATE BP ACS USP
1,2-Cyclopentane dicarboximideDTXSID30901319Cyclopentane-1,2-dicarboximideTetrahydrocyclopenta[c]pyrrole-1,3(2H,3aH)-dione; 2,4-Dioxo-3-azabicyclo[3.3.0]octaneGliclazide Impurity 3octahydrocyclopenta[c]pyrrole-1,3-dioneFT-0694926SCHEMBL1567934
Database identifiers
- CAS
5763-44-0- PubChem CID
- 110709
- DTXSID
DTXSID30901319- EC Number
- 227-285-6
- Nikkaji
- J218.035I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 168 °C · 168 °C (dec.)
- Boiling point
- 322.2 · 322.2±11.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- vapor pressure
- 0.017 · 0.017-0.031Pa at 20-25℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly)
- pka
- 11.97 · 11.97±0.20(Predicted)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C7H9NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)
- InChIKey
- QCWDCTDYSDJKTP-UHFFFAOYSA-N
- SMILES
- N1C(=O)C2CCCC2C1=O
- Surface tension
- 71.9 mN/m · 71.9mN/m at 1g/L and 20℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Tetrahydrocyclopenta[c]pyrrole-1,3(2H,3aH)-dione (EC: 227-285-6)
Hazard Classes and CategoriesAcute Tox. 4 (85.7%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Description1,2-cyclopentanediformylandne is the important intermediate of preparation gliclazide (Gliclazide).Gliclazide is s-generation sulfonylurea oral antidiabetic drug, be used for the treatment of non insulin dependent diabetes (type ii diabetes).
Uses1,2-Cyclopentanedicarboximide was used as a reactant for [(benzopyranyl)amino]alkyl]azabicyclooctanedione anxiolytic,
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
2 records
Compound notes
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