8,9-dihydro-7H-benzo[b][1]benzazepine

C14H13N — CID 87111168

IUPAC8,9-dihydro-7H-benzo[b][1]benzazepine
SMILESC1=C2CCCC=C2N=c2ccccc2=C1
InChIInChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1,3,5,7-10H,2,4,6H2
InChIKeyLJCNQSINHSOSTK-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.09
Rot. Bonds

About 8,9-dihydro-7H-benzo[b][1]benzazepine

8,9-dihydro-7H-benzo[b][1]benzazepine (PubChem CID 87111168) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 8,9-dihydro-7H-benzo[b][1]benzazepine.

Molecular Properties

Compound Name8,9-dihydro-7H-benzo[b][1]benzazepine
PubChem CID87111168
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name8,9-dihydro-7H-benzo[b][1]benzazepine
SMILESC1=C2CCCC=C2N=c2ccccc2=C1
InChIInChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1,3,5,7-10H,2,4,6H2
InChIKeyLJCNQSINHSOSTK-UHFFFAOYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-7H-benzo[b][1]benzazepine?
The IUPAC name of 8,9-dihydro-7H-benzo[b][1]benzazepine (CID 87111168) is 8,9-dihydro-7H-benzo[b][1]benzazepine.
What is the SMILES notation for 8,9-dihydro-7H-benzo[b][1]benzazepine?
The canonical SMILES for 8,9-dihydro-7H-benzo[b][1]benzazepine is C1=C2CCCC=C2N=c2ccccc2=C1.
What is the InChIKey of 8,9-dihydro-7H-benzo[b][1]benzazepine?
The InChIKey is LJCNQSINHSOSTK-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/h1,3,5,7-10H,2,4,6H2.
What are the key properties of 8,9-dihydro-7H-benzo[b][1]benzazepine?
8,9-dihydro-7H-benzo[b][1]benzazepine has a molecular weight of 195.27 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-7H-benzo[b][1]benzazepine is sourced from PubChem (CID 87111168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).