Proline chloromethyl ketone
Basic information
- CAS
38491-75-7- Standard SMILES
O=C(CCl)[C@@H]1CCCN1- InChIKey
YGAFBOIEHARROZ-YFKPBYRVSA-N- Molecular formula
- C6H10ClNO
- Average molar mass
- 147.6 g/mol
- Monoisotopic mass
- 147.0450916
Overview
RN given refers to (L)-isomer; cpd not in Chemline 7/21/83
Names & identifiers
- Preferred name
- Proline chloromethyl ketone
- IUPAC
- 2-chloro-1-[(2S)-pyrrolidin-2-yl]ethanone
- English name
- Ethanone, 2-chloro-1-(2-pyrrolidinyl)-, (S)- (9CI)
- Molecular formula
- C6H10ClNO
- Molecular weight
- 147.6027
Names & synonyms
38491-75-7Proline chloromethyl ketonePro-chloromethyl ketoneL-Proline chloromethyl ketoneEthanone, 2-chloro-1-(2-pyrrolidinyl)-, (S)-RefChem:1761912-chloro-1-[(2S)-pyrrolidin-2-yl]ethan-1-one(S)-2-Chloro-1-(pyrrolidin-2-yl)ethan-1-oneSCHEMBL15555619DTXSID60959363EN300-7215112Ethanone, 2-chloro-1-(2-pyrrolidinyl)-, (S)- (9CI)
Database identifiers
- CAS
38491-75-7- PubChem CID
- 190976
- DTXSID
DTXSID60959363
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
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Compound notes
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