4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate

C15H8ClN2O3- — CID 7275697

IUPAC4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate
SMILESN#C/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClN2O3/c16-13-4-2-11(3-5-13)12(9-17)7-10-1-6-15(19)14(8-10)18(20)21/h1-8,19H/p-1/b12-7-
InChIKeyHAOSRTVBOZMNRK-GHXNOFRVSA-M
MW299.69 g/mol
LogP3.39
Rot. Bonds3

About 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate

4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate (PubChem CID 7275697) has the molecular formula C15H8ClN2O3- and a molecular weight of 299.69 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate
PubChem CID7275697
Molecular FormulaC15H8ClN2O3-
Molecular Weight299.69 g/mol
Exact Mass299.02
IUPAC Name4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate
SMILESN#C/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClN2O3/c16-13-4-2-11(3-5-13)12(9-17)7-10-1-6-15(19)14(8-10)18(20)21/h1-8,19H/p-1/b12-7-
InChIKeyHAOSRTVBOZMNRK-GHXNOFRVSA-M
XLogP3.39
TPSA89.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.69
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate 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

(Z)-2-(4-chlorophenyl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile
CID 912022
4-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]-2-nitrophenolate
CID 7121362
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
2-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
CID 912015
2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile
CID 4089006
4-[1-cyano-2-(4-methoxy-3-nitrophenyl)ethenyl]benzoic acid
CID 2980202
4-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-2-nitrophenolate
CID 8828891
(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529295
(Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695771
(Z)-3-(3,4-dihydroxy-5-nitrophenyl)-2-(1-hydroxypyridin-1-ium-4-yl)prop-2-enenitrile
CID 145215170
2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2959641
(E)-2-(4-iodophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
CID 2214634

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate (CID 7275697) is 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate is N#C/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate?
The InChIKey is HAOSRTVBOZMNRK-GHXNOFRVSA-M. The full InChI is InChI=1S/C15H9ClN2O3/c16-13-4-2-11(3-5-13)12(9-17)7-10-1-6-15(19)14(8-10)18(20)21/h1-8,19H/p-1/b12-7-.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate?
4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate has a molecular weight of 299.69 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-nitrophenolate is sourced from PubChem (CID 7275697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).