(E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide

C22H18N2O2 — CID 6527824

IUPAC(E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1c1ccccc1
InChIInChI=1S/C22H18N2O2/c1-2-12-24-22(25)19(15-23)14-18-13-17-10-6-7-11-20(17)26-21(18)16-8-4-3-5-9-16/h2-11,13-14,21H,1,12H2,(H,24,25)/b19-14+
InChIKeyJLSFKWVKIITTOE-XMHGGMMESA-N
MW342.40 g/mol
LogP3.96
Rot. Bonds5

About (E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide

(E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide (PubChem CID 6527824) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide
PubChem CID6527824
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1c1ccccc1
InChIInChI=1S/C22H18N2O2/c1-2-12-24-22(25)19(15-23)14-18-13-17-10-6-7-11-20(17)26-21(18)16-8-4-3-5-9-16/h2-11,13-14,21H,1,12H2,(H,24,25)/b19-14+
InChIKeyJLSFKWVKIITTOE-XMHGGMMESA-N
XLogP3.96
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide 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

(E)-2-cyano-N-(4-methylphenyl)-3-[(2R)-2-phenyl-2H-chromen-3-yl]prop-2-enamide
CID 92962233
(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-(2-phenyl-2H-chromen-3-yl)prop-2-enamide
CID 6127402
2-cyano-3-[4-(N-phenylanilino)phenyl]-N-prop-2-enylprop-2-enamide
CID 3427777
(E)-2-cyano-3-[(2R)-2-methyl-2H-chromen-3-yl]-N-(4-methylphenyl)prop-2-enamide
CID 749229
2-cyano-3-[3-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]phenyl]-N-prop-2-enylprop-2-enamide
CID 5199561
2-cyano-3-(5-phenylfuran-2-yl)-N-prop-2-enylprop-2-enamide
CID 4710196
(E)-2-cyano-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
CID 2688672
(E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyano-N-prop-2-enylprop-2-enamide
CID 8000357
4-chloro-N-[(Z)-1-(2-methyl-2H-chromen-3-yl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
CID 19260541
(E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-prop-2-enylprop-2-enamide
CID 18269615
(E)-2-cyano-3-(2-ethyl-1-benzofuran-3-yl)-N-prop-2-enylprop-2-enamide
CID 9334013
3-(2H-chromen-3-yl)-2-cyano-N-ethylprop-2-enamide
CID 962460

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide (CID 6527824) is (E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1c1ccccc1.
What is the InChIKey of (E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide?
The InChIKey is JLSFKWVKIITTOE-XMHGGMMESA-N. The full InChI is InChI=1S/C22H18N2O2/c1-2-12-24-22(25)19(15-23)14-18-13-17-10-6-7-11-20(17)26-21(18)16-8-4-3-5-9-16/h2-11,13-14,21H,1,12H2,(H,24,25)/b19-14+.
What are the key properties of (E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide?
(E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2-phenyl-2H-chromen-3-yl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 6527824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).