1-methyl-2,3-dihydroazepine

C7H11N — CID 21134128

IUPAC1-methyl-2,3-dihydroazepine
SMILESCN1C=CC=CCC1
InChIInChI=1S/C7H11N/c1-8-6-4-2-3-5-7-8/h2-4,6H,5,7H2,1H3
InChIKeyNNBWYSJJEJXDTP-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.39
Rot. Bonds

About 1-methyl-2,3-dihydroazepine

1-methyl-2,3-dihydroazepine (PubChem CID 21134128) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-methyl-2,3-dihydroazepine.

Molecular Properties

Compound Name1-methyl-2,3-dihydroazepine
PubChem CID21134128
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-methyl-2,3-dihydroazepine
SMILESCN1C=CC=CCC1
InChIInChI=1S/C7H11N/c1-8-6-4-2-3-5-7-8/h2-4,6H,5,7H2,1H3
InChIKeyNNBWYSJJEJXDTP-UHFFFAOYSA-N
XLogP1.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-2,3-dihydroazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydroazepine?
The IUPAC name of 1-methyl-2,3-dihydroazepine (CID 21134128) is 1-methyl-2,3-dihydroazepine.
What is the SMILES notation for 1-methyl-2,3-dihydroazepine?
The canonical SMILES for 1-methyl-2,3-dihydroazepine is CN1C=CC=CCC1.
What is the InChIKey of 1-methyl-2,3-dihydroazepine?
The InChIKey is NNBWYSJJEJXDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-8-6-4-2-3-5-7-8/h2-4,6H,5,7H2,1H3.
What are the key properties of 1-methyl-2,3-dihydroazepine?
1-methyl-2,3-dihydroazepine has a molecular weight of 109.17 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 1-methyl-2,3-dihydroazepine is sourced from PubChem (CID 21134128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).