Acetamide, N-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-

HCID 37031

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Basic information

CAS: 35047-91-7
Standard SMILES: CC(=O)NC1CCCCc2ccccc21
InChIKey: VIOBOLPVFXWEHS-UHFFFAOYSA-N
Molecular formula: C13H17NO
Average molar mass: 203.28 g/mol
Monoisotopic mass: 203.13101417

Names & identifiers

Preferred name: Acetamide, N-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-
IUPAC: N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetamide

Names & synonyms

BRN 28464865-Acetamido-6,7,8,9-tetrahydro-5H-benzocycloheptene35047-91-7N-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-yl)acetamideACETAMIDE, N-(6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-YL)-RefChem:315452SCHEMBL19658435DTXSID50956487N-(6,7,8,9-Tetrahydro-5H-benzo[7]annulen-5-yl)ethanimidic acid

Database identifiers

CAS: 35047-91-7
PubChem CID: 37031
DTXSID: DTXSID50956487

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 227

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