4H-1,2-benzoxazin-3-one

C8H7NO2 — CID 19937448

IUPAC4H-1,2-benzoxazin-3-one
SMILESO=C1Cc2ccccc2ON1
InChIInChI=1S/C8H7NO2/c10-8-5-6-3-1-2-4-7(6)11-9-8/h1-4H,5H2,(H,9,10)
InChIKeyHQQTZCPKNZVLFF-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.65
Rot. Bonds

About 4H-1,2-benzoxazin-3-one

4H-1,2-benzoxazin-3-one (PubChem CID 19937448) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 4H-1,2-benzoxazin-3-one.

Molecular Properties

Compound Name4H-1,2-benzoxazin-3-one
PubChem CID19937448
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name4H-1,2-benzoxazin-3-one
SMILESO=C1Cc2ccccc2ON1
InChIInChI=1S/C8H7NO2/c10-8-5-6-3-1-2-4-7(6)11-9-8/h1-4H,5H2,(H,9,10)
InChIKeyHQQTZCPKNZVLFF-UHFFFAOYSA-N
XLogP0.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4H-1,2-benzoxazin-3-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 4H-1,2-benzoxazin-3-one?
The IUPAC name of 4H-1,2-benzoxazin-3-one (CID 19937448) is 4H-1,2-benzoxazin-3-one.
What is the SMILES notation for 4H-1,2-benzoxazin-3-one?
The canonical SMILES for 4H-1,2-benzoxazin-3-one is O=C1Cc2ccccc2ON1.
What is the InChIKey of 4H-1,2-benzoxazin-3-one?
The InChIKey is HQQTZCPKNZVLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-8-5-6-3-1-2-4-7(6)11-9-8/h1-4H,5H2,(H,9,10).
What are the key properties of 4H-1,2-benzoxazin-3-one?
4H-1,2-benzoxazin-3-one has a molecular weight of 149.15 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,2-benzoxazin-3-one is sourced from PubChem (CID 19937448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).