(2-Oxocyclopentyl)acetonitrile
Basic information
- CAS
51004-14-9- Standard SMILES
N#CCC1CCCC1=O- InChIKey
NTBRBVDWJQGNBR-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Names & identifiers
- Preferred name
- (2-Oxocyclopentyl)acetonitrile
- IUPAC
- 2-(2-oxocyclopentyl)acetonitrile
Names & synonyms
(2-oxocyclopentyl)acetonitrile51004-14-9DTXSID50312160RefChem:206264DTXCID502632842-OXOCYCLOPENTANEACETONITRILENSC-2509422-(2-oxocyclopentyl)acetonitrileNSC250942KS5YZL624BCyclopentaneacetonitrile, 2-oxo-
Database identifiers
- CAS
51004-14-9- PubChem CID
- 317665
- DTXSID
DTXSID50312160- UNII
- KS5YZL624B
- Nikkaji
- J2.230.917J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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