3-methyloxazepine

C6H7NO — CID 149190958

IUPAC3-methyloxazepine
SMILESCC1=NOC=CC=C1
InChIInChI=1S/C6H7NO/c1-6-4-2-3-5-8-7-6/h2-5H,1H3
InChIKeyXCUXPKXDTSGAFP-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.46
Rot. Bonds

About 3-methyloxazepine

3-methyloxazepine (PubChem CID 149190958) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 3-methyloxazepine.

Molecular Properties

Compound Name3-methyloxazepine
PubChem CID149190958
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name3-methyloxazepine
SMILESCC1=NOC=CC=C1
InChIInChI=1S/C6H7NO/c1-6-4-2-3-5-8-7-6/h2-5H,1H3
InChIKeyXCUXPKXDTSGAFP-UHFFFAOYSA-N
XLogP1.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyloxazepine 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 3-methyloxazepine?
The IUPAC name of 3-methyloxazepine (CID 149190958) is 3-methyloxazepine.
What is the SMILES notation for 3-methyloxazepine?
The canonical SMILES for 3-methyloxazepine is CC1=NOC=CC=C1.
What is the InChIKey of 3-methyloxazepine?
The InChIKey is XCUXPKXDTSGAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-6-4-2-3-5-8-7-6/h2-5H,1H3.
What are the key properties of 3-methyloxazepine?
3-methyloxazepine has a molecular weight of 109.13 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxazepine is sourced from PubChem (CID 149190958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).