7-Oxoazepane-2-carbonitrile
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Basic information
- CAS
6968-26-9- Standard SMILES
N#CC1CCCCC(=O)N1- InChIKey
XDEGVMCUURQNKC-UHFFFAOYSA-N- Molecular formula
- C7H10N2O
- Average molar mass
- 138.17 g/mol
- Monoisotopic mass
- 138.07931295
Names & identifiers
- Preferred name
- 7-Oxoazepane-2-carbonitrile
- IUPAC
- 7-oxoazepane-2-carbonitrile
- English name
- 7-oxoazepane-2-carbonitrile
- Molecular formula
- C7H10N2O
- Molecular weight
- 0
Names & synonyms
6968-26-97-oxoazepane-2-carbonitrileNSC20677DTXSID50281180NSC-20677AKOS0063582717-oxo-hexahydro-azepine-2-carbonitrile
Database identifiers
- CAS
6968-26-9- PubChem CID
- 228074
- DTXSID
DTXSID50281180
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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