2H-2-benzazepine

C10H9N — CID 19747191

IUPAC2H-2-benzazepine
SMILESC1=CNC=c2ccccc2=C1
InChIInChI=1S/C10H9N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-8,11H
InChIKeyXUUSYXJGMRQBKQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.32
Rot. Bonds

About 2H-2-benzazepine

2H-2-benzazepine (PubChem CID 19747191) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 2H-2-benzazepine.

Molecular Properties

Compound Name2H-2-benzazepine
PubChem CID19747191
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name2H-2-benzazepine
SMILESC1=CNC=c2ccccc2=C1
InChIInChI=1S/C10H9N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-8,11H
InChIKeyXUUSYXJGMRQBKQ-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-2-benzazepine?
The IUPAC name of 2H-2-benzazepine (CID 19747191) is 2H-2-benzazepine.
What is the SMILES notation for 2H-2-benzazepine?
The canonical SMILES for 2H-2-benzazepine is C1=CNC=c2ccccc2=C1.
What is the InChIKey of 2H-2-benzazepine?
The InChIKey is XUUSYXJGMRQBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-8,11H.
What are the key properties of 2H-2-benzazepine?
2H-2-benzazepine has a molecular weight of 143.19 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-2-benzazepine is sourced from PubChem (CID 19747191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).