(2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one

C16H12ClNO2 — CID 155548818

IUPAC(2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)/C(=C/c2ccccc2Cl)Oc2ccccc21
InChIInChI=1S/C16H12ClNO2/c1-18-13-8-4-5-9-14(13)20-15(16(18)19)10-11-6-2-3-7-12(11)17/h2-10H,1H3/b15-10-
InChIKeyOSUZIVVZBAVWLE-GDNBJRDFSA-N
MW285.73 g/mol
LogP3.74
Rot. Bonds1

About (2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one

(2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 155548818) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is (2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one
PubChem CID155548818
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name(2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)/C(=C/c2ccccc2Cl)Oc2ccccc21
InChIInChI=1S/C16H12ClNO2/c1-18-13-8-4-5-9-14(13)20-15(16(18)19)10-11-6-2-3-7-12(11)17/h2-10H,1H3/b15-10-
InChIKeyOSUZIVVZBAVWLE-GDNBJRDFSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of (2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one (CID 155548818) is (2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for (2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for (2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)/C(=C/c2ccccc2Cl)Oc2ccccc21.
What is the InChIKey of (2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is OSUZIVVZBAVWLE-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-18-13-8-4-5-9-14(13)20-15(16(18)19)10-11-6-2-3-7-12(11)17/h2-10H,1H3/b15-10-.
What are the key properties of (2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one?
(2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 285.73 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 155548818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).