1H,2H,5H,6H,7H-cyclopenta(b)pyridin-2-one
Basic information
- CAS
88499-85-8- Standard SMILES
O=c1ccc2c([nH]1)CCC2- InChIKey
GXXRRIYKTZNCNC-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- 1H,2H,5H,6H,7H-cyclopenta(b)pyridin-2-one
- IUPAC
- 1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
- English name
- 6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-2-OL
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one1H,2H,5H,6H,7H-cyclopenta(b)pyridin-2-oneRefChem:437727832-822-888499-85-86,7-dihydro-5h-cyclopenta[b]pyridin-2-ol1,5,6,7-Tetrahydro-2H-cyclopenta[b]pyridin-2-one6,7-dihydro-1H-cyclopenta[b]pyridin-2(5H)-oneMFCD093428991,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one2H-Cyclopenta[b]pyridin-2-one, 1,5,6,7-tetrahydro-NSC150955
Show more names
1,5,6,7-Tetrahydro-[1]pyrindin-2-one - [T94587]1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one(SALTDATA: FREE)
2H-1-Pyrindin-2-one, 1,5,6,7-tetrahydro-1,5,6,7-Tetrahydro-[1]pyrindin-2-one1h,5h,6h,7h-cyclopenta[b]pyridin-2-one1-pyrindan-2-ol5h,6h,7h-cyclopenta[b]pyridin-2-olUPENN_ABS_00791914-10-2SCHEMBL623322
Database identifiers
- CAS
88499-85-8- PubChem CID
- 289261
- DTXSID
DTXSID001008194- EC Number
- 832-822-8
- Nikkaji
- J506.769C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 180 · 180-181 °C(Solv: water (7732-18-5))
- Boiling point
- 402.7 · 402.7±18.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.05 · 13.05±0.20(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H9NO/c10-8-5-4-6-2-1-3-7(6)9-8/h4-5H,1-3H2,(H,9,10)
- InChIKey
- GXXRRIYKTZNCNC-UHFFFAOYSA-N
- SMILES
- C12CCCC=1C=CC(=O)N2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
Warning
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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