2,3-benzoxazin-1-one

C8H5NO2 — CID 6454128

IUPAC2,3-benzoxazin-1-one
SMILESO=c1oncc2ccccc12
InChIInChI=1S/C8H5NO2/c10-8-7-4-2-1-3-6(7)5-9-11-8/h1-5H
InChIKeyXBBMTLDJZXQHKN-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.19
Rot. Bonds

About 2,3-benzoxazin-1-one

2,3-benzoxazin-1-one (PubChem CID 6454128) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2,3-benzoxazin-1-one.

Molecular Properties

Compound Name2,3-benzoxazin-1-one
PubChem CID6454128
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Name2,3-benzoxazin-1-one
SMILESO=c1oncc2ccccc12
InChIInChI=1S/C8H5NO2/c10-8-7-4-2-1-3-6(7)5-9-11-8/h1-5H
InChIKeyXBBMTLDJZXQHKN-UHFFFAOYSA-N
XLogP1.19
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-benzoxazin-1-one 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 2,3-benzoxazin-1-one?
The IUPAC name of 2,3-benzoxazin-1-one (CID 6454128) is 2,3-benzoxazin-1-one.
What is the SMILES notation for 2,3-benzoxazin-1-one?
The canonical SMILES for 2,3-benzoxazin-1-one is O=c1oncc2ccccc12.
What is the InChIKey of 2,3-benzoxazin-1-one?
The InChIKey is XBBMTLDJZXQHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c10-8-7-4-2-1-3-6(7)5-9-11-8/h1-5H.
What are the key properties of 2,3-benzoxazin-1-one?
2,3-benzoxazin-1-one has a molecular weight of 147.13 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-benzoxazin-1-one is sourced from PubChem (CID 6454128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).