5-methyl-2,1-benzoxazepine

C10H9NO — CID 170190232

IUPAC5-methyl-2,1-benzoxazepine
SMILESCC1=c2ccccc2=NOC=C1
InChIInChI=1S/C10H9NO/c1-8-6-7-12-11-10-5-3-2-4-9(8)10/h2-7H,1H3
InChIKeyUDNMOFVWJJVOAB-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.94
Rot. Bonds

About 5-methyl-2,1-benzoxazepine

5-methyl-2,1-benzoxazepine (PubChem CID 170190232) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-methyl-2,1-benzoxazepine.

Molecular Properties

Compound Name5-methyl-2,1-benzoxazepine
PubChem CID170190232
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-methyl-2,1-benzoxazepine
SMILESCC1=c2ccccc2=NOC=C1
InChIInChI=1S/C10H9NO/c1-8-6-7-12-11-10-5-3-2-4-9(8)10/h2-7H,1H3
InChIKeyUDNMOFVWJJVOAB-UHFFFAOYSA-N
XLogP0.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2,1-benzoxazepine 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 5-methyl-2,1-benzoxazepine?
The IUPAC name of 5-methyl-2,1-benzoxazepine (CID 170190232) is 5-methyl-2,1-benzoxazepine.
What is the SMILES notation for 5-methyl-2,1-benzoxazepine?
The canonical SMILES for 5-methyl-2,1-benzoxazepine is CC1=c2ccccc2=NOC=C1.
What is the InChIKey of 5-methyl-2,1-benzoxazepine?
The InChIKey is UDNMOFVWJJVOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-8-6-7-12-11-10-5-3-2-4-9(8)10/h2-7H,1H3.
What are the key properties of 5-methyl-2,1-benzoxazepine?
5-methyl-2,1-benzoxazepine has a molecular weight of 159.19 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,1-benzoxazepine is sourced from PubChem (CID 170190232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).