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

C15H11NO2 — CID 928297

IUPAC2-benzyl-3,1-benzoxazin-4-one
SMILESO=c1oc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C15H11NO2/c17-15-12-8-4-5-9-13(12)16-14(18-15)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDDRPLKODWUPIEW-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.78
Rot. Bonds2

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

2-benzyl-3,1-benzoxazin-4-one (PubChem CID 928297) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-benzyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-benzyl-3,1-benzoxazin-4-one
PubChem CID928297
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-benzyl-3,1-benzoxazin-4-one
SMILESO=c1oc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C15H11NO2/c17-15-12-8-4-5-9-13(12)16-14(18-15)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDDRPLKODWUPIEW-UHFFFAOYSA-N
XLogP2.78
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-benzyl-3,1-benzoxazin-4-one (CID 928297) is 2-benzyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-benzyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-benzyl-3,1-benzoxazin-4-one is O=c1oc(Cc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-benzyl-3,1-benzoxazin-4-one?
The InChIKey is DDRPLKODWUPIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-15-12-8-4-5-9-13(12)16-14(18-15)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-benzyl-3,1-benzoxazin-4-one?
2-benzyl-3,1-benzoxazin-4-one has a molecular weight of 237.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 928297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).