3-methyl-4H-1-benzazepine

C11H11N — CID 123517892

IUPAC3-methyl-4H-1-benzazepine
SMILESCC1=CN=c2ccccc2=CC1
InChIInChI=1S/C11H11N/c1-9-6-7-10-4-2-3-5-11(10)12-8-9/h2-5,7-8H,6H2,1H3
InChIKeyJVDXQOSBEXXPNW-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.39
Rot. Bonds

About 3-methyl-4H-1-benzazepine

3-methyl-4H-1-benzazepine (PubChem CID 123517892) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-methyl-4H-1-benzazepine.

Molecular Properties

Compound Name3-methyl-4H-1-benzazepine
PubChem CID123517892
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name3-methyl-4H-1-benzazepine
SMILESCC1=CN=c2ccccc2=CC1
InChIInChI=1S/C11H11N/c1-9-6-7-10-4-2-3-5-11(10)12-8-9/h2-5,7-8H,6H2,1H3
InChIKeyJVDXQOSBEXXPNW-UHFFFAOYSA-N
XLogP1.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-1-benzazepine?
The IUPAC name of 3-methyl-4H-1-benzazepine (CID 123517892) is 3-methyl-4H-1-benzazepine.
What is the SMILES notation for 3-methyl-4H-1-benzazepine?
The canonical SMILES for 3-methyl-4H-1-benzazepine is CC1=CN=c2ccccc2=CC1.
What is the InChIKey of 3-methyl-4H-1-benzazepine?
The InChIKey is JVDXQOSBEXXPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-6-7-10-4-2-3-5-11(10)12-8-9/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-methyl-4H-1-benzazepine?
3-methyl-4H-1-benzazepine has a molecular weight of 157.22 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-1-benzazepine is sourced from PubChem (CID 123517892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).