Basic information
- CAS
881921-17-1- Standard SMILES
CCC[C@]1(C)C=CC(=O)N1- InChIKey
IGSOEEAUFOQXDV-MRVPVSSYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- 2H-Pyrrol-2-one, 1,5-dihydro-5-methyl-5-propyl-, (5R)-
- IUPAC
- (5R)-5-methyl-5-propyl-1H-pyrrol-2-one
Names & synonyms
2H-Pyrrol-2-one, 1,5-dihydro-5-methyl-5-propyl-, (5R)-881921-17-1DTXSID40469677RefChem:269141DTXCID90420495(5R)-5-Methyl-5-propyl-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- CAS
881921-17-1- PubChem CID
- 11629620
- DTXSID
DTXSID40469677- Nikkaji
- J2.292.267J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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