4H-2-benzazepine

C10H9N — CID 54406986

IUPAC4H-2-benzazepine
SMILESC1=NC=c2ccccc2=CC1
InChIInChI=1S/C10H9N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-8H,3H2
InChIKeyVRKCSGHVVOVOCU-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.68
Rot. Bonds

About 4H-2-benzazepine

4H-2-benzazepine (PubChem CID 54406986) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 4H-2-benzazepine.

Molecular Properties

Compound Name4H-2-benzazepine
PubChem CID54406986
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name4H-2-benzazepine
SMILESC1=NC=c2ccccc2=CC1
InChIInChI=1S/C10H9N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-8H,3H2
InChIKeyVRKCSGHVVOVOCU-UHFFFAOYSA-N
XLogP0.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4H-2-benzazepine?
The IUPAC name of 4H-2-benzazepine (CID 54406986) is 4H-2-benzazepine.
What is the SMILES notation for 4H-2-benzazepine?
The canonical SMILES for 4H-2-benzazepine is C1=NC=c2ccccc2=CC1.
What is the InChIKey of 4H-2-benzazepine?
The InChIKey is VRKCSGHVVOVOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-8H,3H2.
What are the key properties of 4H-2-benzazepine?
4H-2-benzazepine has a molecular weight of 143.19 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-2-benzazepine is sourced from PubChem (CID 54406986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).