2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one

C16H11NO2 — CID 5367020

IUPAC2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11NO2/c18-16-13-8-4-5-9-14(13)17-15(19-16)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyKBAXULDFOCTUNQ-ZHACJKMWSA-N
MW249.27 g/mol
LogP3.36
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one

2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one (PubChem CID 5367020) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
PubChem CID5367020
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11NO2/c18-16-13-8-4-5-9-14(13)17-15(19-16)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyKBAXULDFOCTUNQ-ZHACJKMWSA-N
XLogP3.36
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one (CID 5367020) is 2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one is O=c1oc(/C=C/c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one?
The InChIKey is KBAXULDFOCTUNQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16-13-8-4-5-9-14(13)17-15(19-16)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one?
2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one has a molecular weight of 249.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 5367020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).