8,11-dihydro-7H-benzo[b][1]benzazepine

C14H13N — CID 15390653

IUPAC8,11-dihydro-7H-benzo[b][1]benzazepine
SMILESC1=CC2=C(C=Cc3ccccc3N2)CC1
InChIInChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1,3-5,7-10,15H,2,6H2
InChIKeyLSHMHNIMTWCHLI-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.73
Rot. Bonds

About 8,11-dihydro-7H-benzo[b][1]benzazepine

8,11-dihydro-7H-benzo[b][1]benzazepine (PubChem CID 15390653) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 8,11-dihydro-7H-benzo[b][1]benzazepine.

Molecular Properties

Compound Name8,11-dihydro-7H-benzo[b][1]benzazepine
PubChem CID15390653
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name8,11-dihydro-7H-benzo[b][1]benzazepine
SMILESC1=CC2=C(C=Cc3ccccc3N2)CC1
InChIInChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1,3-5,7-10,15H,2,6H2
InChIKeyLSHMHNIMTWCHLI-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,11-dihydro-7H-benzo[b][1]benzazepine?
The IUPAC name of 8,11-dihydro-7H-benzo[b][1]benzazepine (CID 15390653) is 8,11-dihydro-7H-benzo[b][1]benzazepine.
What is the SMILES notation for 8,11-dihydro-7H-benzo[b][1]benzazepine?
The canonical SMILES for 8,11-dihydro-7H-benzo[b][1]benzazepine is C1=CC2=C(C=Cc3ccccc3N2)CC1.
What is the InChIKey of 8,11-dihydro-7H-benzo[b][1]benzazepine?
The InChIKey is LSHMHNIMTWCHLI-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/h1,3-5,7-10,15H,2,6H2.
What are the key properties of 8,11-dihydro-7H-benzo[b][1]benzazepine?
8,11-dihydro-7H-benzo[b][1]benzazepine has a molecular weight of 195.26 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dihydro-7H-benzo[b][1]benzazepine is sourced from PubChem (CID 15390653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).