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

C16H10ClNO2 — CID 12722020

IUPAC2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(/C=C/c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C16H10ClNO2/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(19)20-15/h1-10H/b10-9+
InChIKeyYYDNPZWMYHGIMM-MDZDMXLPSA-N
MW283.71 g/mol
LogP4.01
Rot. Bonds2

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

2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one (PubChem CID 12722020) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one
PubChem CID12722020
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one
SMILESO=c1oc(/C=C/c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C16H10ClNO2/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(19)20-15/h1-10H/b10-9+
InChIKeyYYDNPZWMYHGIMM-MDZDMXLPSA-N
XLogP4.01
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one (CID 12722020) is 2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one is O=c1oc(/C=C/c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one?
The InChIKey is YYDNPZWMYHGIMM-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-13-7-3-1-5-11(13)9-10-15-18-14-8-4-2-6-12(14)16(19)20-15/h1-10H/b10-9+.
What are the key properties of 2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one?
2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one has a molecular weight of 283.71 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chlorophenyl)ethenyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 12722020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).