1H-1-benzazepine

C10H9N — CID 15559658

IUPAC1H-1-benzazepine
SMILESC1=CNc2ccccc2C=C1
InChIInChI=1S/C10H9N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-8,11H
InChIKeyDQFQCHIDRBIESA-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.64
Rot. Bonds

About 1H-1-benzazepine

1H-1-benzazepine (PubChem CID 15559658) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 1H-1-benzazepine.

Molecular Properties

Compound Name1H-1-benzazepine
PubChem CID15559658
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name1H-1-benzazepine
SMILESC1=CNc2ccccc2C=C1
InChIInChI=1S/C10H9N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-8,11H
InChIKeyDQFQCHIDRBIESA-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-1-benzazepine?
The IUPAC name of 1H-1-benzazepine (CID 15559658) is 1H-1-benzazepine.
What is the SMILES notation for 1H-1-benzazepine?
The canonical SMILES for 1H-1-benzazepine is C1=CNc2ccccc2C=C1.
What is the InChIKey of 1H-1-benzazepine?
The InChIKey is DQFQCHIDRBIESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-8,11H.
What are the key properties of 1H-1-benzazepine?
1H-1-benzazepine has a molecular weight of 143.19 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1-benzazepine is sourced from PubChem (CID 15559658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).