6,11-dihydro-5H-benzo[b][1]benzazepine

C14H13N — CID 10308

IUPAC6,11-dihydro-5H-benzo[b][1]benzazepine
SMILESc1ccc2c(c1)CCc1ccccc1N2
InChIInChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2
InChIKeyZSMRRZONCYIFNB-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.53
Rot. Bonds

About 6,11-dihydro-5H-benzo[b][1]benzazepine

6,11-dihydro-5H-benzo[b][1]benzazepine (PubChem CID 10308) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 6,11-dihydro-5H-benzo[b][1]benzazepine.

Molecular Properties

Compound Name6,11-dihydro-5H-benzo[b][1]benzazepine
PubChem CID10308
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name6,11-dihydro-5H-benzo[b][1]benzazepine
SMILESc1ccc2c(c1)CCc1ccccc1N2
InChIInChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2
InChIKeyZSMRRZONCYIFNB-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Desipramine
CID 2995
Imipramine
CID 3696
Trimipramine
CID 5584
Imipramine Hydrochloride
CID 8228
2-Aminobiphenyl
CID 7015
Desipramine Hydrochloride
CID 65327
Dibenz(b,f)azepine
CID 9212
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
N-(3-Methylphenyl)aniline
CID 14569
Acridan
CID 7106
4,4'-Dioctyldiphenylamine
CID 7569

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydro-5H-benzo[b][1]benzazepine?
The IUPAC name of 6,11-dihydro-5H-benzo[b][1]benzazepine (CID 10308) is 6,11-dihydro-5H-benzo[b][1]benzazepine.
What is the SMILES notation for 6,11-dihydro-5H-benzo[b][1]benzazepine?
The canonical SMILES for 6,11-dihydro-5H-benzo[b][1]benzazepine is c1ccc2c(c1)CCc1ccccc1N2.
What is the InChIKey of 6,11-dihydro-5H-benzo[b][1]benzazepine?
The InChIKey is ZSMRRZONCYIFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2.
What are the key properties of 6,11-dihydro-5H-benzo[b][1]benzazepine?
6,11-dihydro-5H-benzo[b][1]benzazepine has a molecular weight of 195.27 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydro-5H-benzo[b][1]benzazepine is sourced from PubChem (CID 10308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).