3H-1,2-dihydro-1-pyrrolizinone
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Basic information
- CAS
17266-64-7- Standard SMILES
O=C1CCn2cccc21- InChIKey
JXGLKOLYBRHCBH-UHFFFAOYSA-N- Molecular formula
- C7H7NO
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.05276384
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3H-1,2-dihydro-1-pyrrolizinone
- IUPAC
- 2,3-dihydropyrrolizin-1-one
- English name
- 1H-Pyrrolizin-1-one,2,3-dihydro-(6CI,7CI,8CI,9CI)
- Molecular formula
- C7H7NO
- Molecular weight
- 121.14
Names & synonyms
17266-64-73H-1,2-Dihydro-1-pyrrolizinone1H-Pyrrolizin-1-one, 2,3-dihydro-292J811G3PNSC-116800DTXSID80169366RefChem:95719DTXCID00918572,3-dihydro-1H-pyrrolizin-1-one2,3-dihydropyrrolizin-1-one2,3-Dihydro-1H-pyrrolizine-1-one2,3-Dihydro-1H-Pyrrolizin-1-one; NSC 116800;
Show more names
Ketorolac Keto pyrrole Impurity2,3-Dihydro-1H-pyrrolo[1,2-a]pyrazin-1-one
UNII-292J811G3PDihydropyrrolizinonMFCD01860302NSC116800NSC 1168001H-Pyrrolizin-1-one,2,3-dihydro-(6CI,7CI,8CI,9CI)1, 2-dihydro-1-pyrrolizinoneSCHEMBL8829557
Database identifiers
- CAS
17266-64-7- PubChem CID
- 97347
- DTXSID
DTXSID80169366- UNII
- 292J811G3P
- EC Number
- 838-350-9
- Nikkaji
- J1.308.747D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 58 · 58-59 °C
- Boiling point
- 82 · 82-84 °C(Press: 0.2 Torr)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- -7.97 · -7.97±0.20(Predicted)
- FDA UNII
- 292 J811G3P · 292J811G3P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2,3-Dihydro-1H-pyrrolizine-1-one is used in the synthesis of cannabinoid analogues with pyrrole moieties.
Related reactions
5 records
Compound notes
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