2-Acetylpyrrolidine
Basic information
- CAS
60026-20-2- Standard SMILES
CC(=O)C1CCCN1- InChIKey
FYCFJMPASVKULQ-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Overview
2-Acetylpyrrolidine is a member of pyrrolidines.
Names & identifiers
- Preferred name
- 2-Acetylpyrrolidine
- IUPAC
- 1-pyrrolidin-2-ylethanone
- English name
- Ethanone, 1-(2-pyrrolidinyl)- (9CI)
- Molecular formula
- C6H11NO
- Molecular weight
- 113.16
Names & synonyms
2-Acetylpyrrolidine60026-20-21-(pyrrolidin-2-yl)ethan-1-oneDTXSID30338702RefChem:85011DTXCID30289785FYCFJMPASVKULQ-UHFFFAOYSA-N1-(PYRROLIDIN-2-YL)ETHANONE2-Acetyl-pyrrolidine1-pyrrolidin-2-ylethanoneEthanone, 1-(2-pyrrolidinyl)-2-pyrrolidinylmethyl ketone
Show more names
2-Acetylpyrroline1-(Pyrrolidin-2-yl)ethanone HClEthanone, 1-(2-pyrrolidinyl)- (9CI)1-(Pyrrolidin-2-yl)ethanone hydrochloride
1-(2-Pyrrolidinyl)ethanoneSCHEMBL8052931-(2-Pyrrolidinyl)ethanone #SCHEMBL2224338SCHEMBL2646452SCHEMBL7426426CHEBI:1665771-(2-Pyrrolidinyl)ethanone, 9CI
Database identifiers
- CAS
60026-20-2- PubChem CID
- 550747
- DTXSID
DTXSID30338702- ChEBI
CHEBI:166577- Nikkaji
- J986.429F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 179 ℃ · 179℃
- Density
- 0.975 · 0.975
- Flash point
- 79 ℃ · 79℃
- pka
- 8.17 · 8.17±0.10(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 2-Acetylpyrrolidine is a member of pyrrolidines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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