3-phenyloxazin-6-one

C10H7NO2 — CID 2802287

IUPAC3-phenyloxazin-6-one
SMILESO=c1ccc(-c2ccccc2)no1
InChIInChI=1S/C10H7NO2/c12-10-7-6-9(11-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyVULXWLLRIBKYHZ-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.70
Rot. Bonds1

About 3-phenyloxazin-6-one

3-phenyloxazin-6-one (PubChem CID 2802287) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-phenyloxazin-6-one.

Molecular Properties

Compound Name3-phenyloxazin-6-one
PubChem CID2802287
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name3-phenyloxazin-6-one
SMILESO=c1ccc(-c2ccccc2)no1
InChIInChI=1S/C10H7NO2/c12-10-7-6-9(11-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyVULXWLLRIBKYHZ-UHFFFAOYSA-N
XLogP1.70
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyloxazin-6-one?
The IUPAC name of 3-phenyloxazin-6-one (CID 2802287) is 3-phenyloxazin-6-one.
What is the SMILES notation for 3-phenyloxazin-6-one?
The canonical SMILES for 3-phenyloxazin-6-one is O=c1ccc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyloxazin-6-one?
The InChIKey is VULXWLLRIBKYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-10-7-6-9(11-13-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-phenyloxazin-6-one?
3-phenyloxazin-6-one has a molecular weight of 173.17 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyloxazin-6-one is sourced from PubChem (CID 2802287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).