2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate

C12H10ClNO4 — CID 71900585

IUPAC2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
SMILESC=C(Cl)COC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H10ClNO4/c1-7(13)5-18-12(16)8-2-3-9-10(4-8)17-6-11(15)14-9/h2-4H,1,5-6H2,(H,14,15)
InChIKeyWWMWXYGBLSJVCC-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.93
Rot. Bonds3

About 2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate

2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate (PubChem CID 71900585) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
PubChem CID71900585
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
SMILESC=C(Cl)COC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C12H10ClNO4/c1-7(13)5-18-12(16)8-2-3-9-10(4-8)17-6-11(15)14-9/h2-4H,1,5-6H2,(H,14,15)
InChIKeyWWMWXYGBLSJVCC-UHFFFAOYSA-N
XLogP1.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 30158820
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 30156719
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 30154625
7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 3087782
N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115612739
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
CID 61343515
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
(1-phenyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 27789679
3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 61393673
(1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 35306474
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide
CID 29373690
N-(1-hydroxypropan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418628

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The IUPAC name of 2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate (CID 71900585) is 2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate.
What is the SMILES notation for 2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The canonical SMILES for 2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate is C=C(Cl)COC(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
The InChIKey is WWMWXYGBLSJVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-7(13)5-18-12(16)8-2-3-9-10(4-8)17-6-11(15)14-9/h2-4H,1,5-6H2,(H,14,15).
What are the key properties of 2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate?
2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate has a molecular weight of 267.67 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate is sourced from PubChem (CID 71900585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).