4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile

C18H10ClNO2 — CID 10542788

IUPAC4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile
SMILESN#Cc1c(/C=C/c2ccccc2Cl)c2ccccc2oc1=O
InChIInChI=1S/C18H10ClNO2/c19-16-7-3-1-5-12(16)9-10-13-14-6-2-4-8-17(14)22-18(21)15(13)11-20/h1-10H/b10-9+
InChIKeyCVNULHHCOWAIMV-MDZDMXLPSA-N
MW307.74 g/mol
LogP4.49
Rot. Bonds2

About 4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile

4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile (PubChem CID 10542788) has the molecular formula C18H10ClNO2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile.

Molecular Properties

Compound Name4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile
PubChem CID10542788
Molecular FormulaC18H10ClNO2
Molecular Weight307.74 g/mol
Exact Mass307.04
IUPAC Name4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile
SMILESN#Cc1c(/C=C/c2ccccc2Cl)c2ccccc2oc1=O
InChIInChI=1S/C18H10ClNO2/c19-16-7-3-1-5-12(16)9-10-13-14-6-2-4-8-17(14)22-18(21)15(13)11-20/h1-10H/b10-9+
InChIKeyCVNULHHCOWAIMV-MDZDMXLPSA-N
XLogP4.49
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile 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

4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile
CID 10688645
4-hydrazinyl-2-oxochromene-3-carbonitrile
CID 71337522
4-[(Z)-2-(2-chlorophenyl)ethenyl]-5-cyano-6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 126202121
2-oxo-4-pent-4-enylchromene-3-carbonitrile
CID 102371513
(Z)-3-(2-chlorophenyl)prop-2-enenitrile
CID 11205957
(E)-3-(2-chlorophenyl)prop-2-enenitrile;hydron
CID 174388548
3-[(2-chlorophenyl)methylideneamino]chromen-2-one
CID 15930947
3-[2-(2-chlorophenyl)ethenyl]-2-methyl-1H-quinolin-4-one
CID 23824842
2-oxo-4-[(2R)-2-phenylbutyl]chromene-3-carbonitrile
CID 138978619
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
13-(2-chlorophenyl)-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
CID 139237910
2-ethyl-4-oxochromene-3-carbonitrile
CID 102579893

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile?
The IUPAC name of 4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile (CID 10542788) is 4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile.
What is the SMILES notation for 4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile?
The canonical SMILES for 4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile is N#Cc1c(/C=C/c2ccccc2Cl)c2ccccc2oc1=O.
What is the InChIKey of 4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile?
The InChIKey is CVNULHHCOWAIMV-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H10ClNO2/c19-16-7-3-1-5-12(16)9-10-13-14-6-2-4-8-17(14)22-18(21)15(13)11-20/h1-10H/b10-9+.
What are the key properties of 4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile?
4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile has a molecular weight of 307.74 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxochromene-3-carbonitrile is sourced from PubChem (CID 10542788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).