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

C16H11NO3 — CID 4962464

IUPAC3-phenacyl-1,4-benzoxazin-2-one
SMILESO=C(Cc1nc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-9H,10H2
InChIKeyFQENJNZYUGCSGH-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.61
Rot. Bonds3

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

3-phenacyl-1,4-benzoxazin-2-one (PubChem CID 4962464) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-phenacyl-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name3-phenacyl-1,4-benzoxazin-2-one
PubChem CID4962464
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-phenacyl-1,4-benzoxazin-2-one
SMILESO=C(Cc1nc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-9H,10H2
InChIKeyFQENJNZYUGCSGH-UHFFFAOYSA-N
XLogP2.61
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenacyl-1,4-benzoxazin-2-one?
The IUPAC name of 3-phenacyl-1,4-benzoxazin-2-one (CID 4962464) is 3-phenacyl-1,4-benzoxazin-2-one.
What is the SMILES notation for 3-phenacyl-1,4-benzoxazin-2-one?
The canonical SMILES for 3-phenacyl-1,4-benzoxazin-2-one is O=C(Cc1nc2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of 3-phenacyl-1,4-benzoxazin-2-one?
The InChIKey is FQENJNZYUGCSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-9H,10H2.
What are the key properties of 3-phenacyl-1,4-benzoxazin-2-one?
3-phenacyl-1,4-benzoxazin-2-one has a molecular weight of 265.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenacyl-1,4-benzoxazin-2-one is sourced from PubChem (CID 4962464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).