1,1a,6,10b-Tetrahydrodibenzo[b,f]cyclopropa[d]azepine

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Basic information

CAS: 30646-39-0
Standard SMILES: c1ccc2c(c1)Nc1ccccc1C1CC21
InChIKey: FGIQVRDFRKFMLB-UHFFFAOYSA-N
Molecular formula: C15H13N
Average molar mass: 207.27 g/mol
Monoisotopic mass: 207.10479942

Names & identifiers

Preferred name: 1,1a,6,10b-Tetrahydrodibenzo[b,f]cyclopropa[d]azepine
IUPAC: 11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene

Names & synonyms

30646-39-0NSC2937851,1a,6,10b-tetrahydrodibenzo[b,f]cyclopropa[d]azepineSCHEMBL11788559DTXSID20315269FGIQVRDFRKFMLB-UHFFFAOYSA-NNSC-2937851,1a,6,10b-tetrahydrodibenzo(b,f)cycloprop(d)azepine

Database identifiers

CAS: 30646-39-0
PubChem CID: 325271
DTXSID: DTXSID20315269

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 249

Related reactions

1 records

New reaction record

HRID 1730262As productuspto-grants-1976_11

Compound notes

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