(Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide

C17H17N3O — CID 126102282

IUPAC(Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C(C#N)=C\c1cccn1C
InChIInChI=1S/C17H17N3O/c1-3-13-7-4-5-9-16(13)19-17(21)14(12-18)11-15-8-6-10-20(15)2/h4-11H,3H2,1-2H3,(H,19,21)/b14-11-
InChIKeyJBJJGPIAHZESAT-KAMYIIQDSA-N
MW279.34 g/mol
LogP3.13
Rot. Bonds4

About (Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide

(Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide (PubChem CID 126102282) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
PubChem CID126102282
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C(C#N)=C\c1cccn1C
InChIInChI=1S/C17H17N3O/c1-3-13-7-4-5-9-16(13)19-17(21)14(12-18)11-15-8-6-10-20(15)2/h4-11H,3H2,1-2H3,(H,19,21)/b14-11-
InChIKeyJBJJGPIAHZESAT-KAMYIIQDSA-N
XLogP3.13
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-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-(2-ethylphenyl)-3-(1-methylpyrrol-3-yl)prop-2-enamide
CID 50853543
(Z)-3-[1-(3-bromophenyl)pyrrol-2-yl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide
CID 126023925
2-cyano-N-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 4557075
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 124642825
(E)-2-cyano-N-(2-ethylphenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 18863339
4-[[(Z)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enoyl]amino]benzoic acid
CID 47005709
(E)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952
(E)-2-cyano-N-(2-ethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 1278925
(Z)-2-cyano-N-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 124624476
(Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide
CID 21374285
(E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide
CID 50854843
(E)-2-cyano-N-(2-ethylphenyl)-3-[1-(4-methoxyphenyl)pyrrol-3-yl]prop-2-enamide
CID 50855772

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide (CID 126102282) is (Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide is CCc1ccccc1NC(=O)/C(C#N)=C\c1cccn1C.
What is the InChIKey of (Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide?
The InChIKey is JBJJGPIAHZESAT-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-13-7-4-5-9-16(13)19-17(21)14(12-18)11-15-8-6-10-20(15)2/h4-11H,3H2,1-2H3,(H,19,21)/b14-11-.
What are the key properties of (Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide?
(Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide is sourced from PubChem (CID 126102282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).