3,1-benzoxazin-2-one

C8H5NO2 — CID 22063086

IUPAC3,1-benzoxazin-2-one
SMILESO=c1nc2ccccc2co1
InChIInChI=1S/C8H5NO2/c10-8-9-7-4-2-1-3-6(7)5-11-8/h1-5H
InChIKeyGZOJTRITAZODJV-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.19
Rot. Bonds

About 3,1-benzoxazin-2-one

3,1-benzoxazin-2-one (PubChem CID 22063086) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3,1-benzoxazin-2-one.

Molecular Properties

Compound Name3,1-benzoxazin-2-one
PubChem CID22063086
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Name3,1-benzoxazin-2-one
SMILESO=c1nc2ccccc2co1
InChIInChI=1S/C8H5NO2/c10-8-9-7-4-2-1-3-6(7)5-11-8/h1-5H
InChIKeyGZOJTRITAZODJV-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

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Frequently Asked Questions

What is the IUPAC name of 3,1-benzoxazin-2-one?
The IUPAC name of 3,1-benzoxazin-2-one (CID 22063086) is 3,1-benzoxazin-2-one.
What is the SMILES notation for 3,1-benzoxazin-2-one?
The canonical SMILES for 3,1-benzoxazin-2-one is O=c1nc2ccccc2co1.
What is the InChIKey of 3,1-benzoxazin-2-one?
The InChIKey is GZOJTRITAZODJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c10-8-9-7-4-2-1-3-6(7)5-11-8/h1-5H.
What are the key properties of 3,1-benzoxazin-2-one?
3,1-benzoxazin-2-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 3,1-benzoxazin-2-one is sourced from PubChem (CID 22063086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).