(Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide

C18H19N3O — CID 50856073

IUPAC(Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)n2C)cc1
InChIInChI=1S/C18H19N3O/c1-4-14-6-8-16(9-7-14)20-18(22)15(12-19)11-17-10-5-13(2)21(17)3/h5-11H,4H2,1-3H3,(H,20,22)/b15-11-
InChIKeyNLLRVBPZFGDQDD-PTNGSMBKSA-N
MW293.37 g/mol
LogP3.44
Rot. Bonds4

About (Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide

(Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide (PubChem CID 50856073) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide
PubChem CID50856073
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)n2C)cc1
InChIInChI=1S/C18H19N3O/c1-4-14-6-8-16(9-7-14)20-18(22)15(12-19)11-17-10-5-13(2)21(17)3/h5-11H,4H2,1-3H3,(H,20,22)/b15-11-
InChIKeyNLLRVBPZFGDQDD-PTNGSMBKSA-N
XLogP3.44
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.44
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'}

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Related Compounds

(Z)-N-(4-chlorophenyl)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)prop-2-enamide
CID 50856134
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 2378159
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 7967214
2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 171149261
(E)-2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 154854308
methyl 4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]benzoate
CID 1271868
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide
CID 108818617
2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4002691
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713671
(Z)-2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713670
2-cyano-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 4532791
(E)-2-cyano-3-[4-(cyanomethoxy)phenyl]-N-(4-ethylphenyl)prop-2-enamide
CID 9353261

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide (CID 50856073) is (Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide is CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)n2C)cc1.
What is the InChIKey of (Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide?
The InChIKey is NLLRVBPZFGDQDD-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-14-6-8-16(9-7-14)20-18(22)15(12-19)11-17-10-5-13(2)21(17)3/h5-11H,4H2,1-3H3,(H,20,22)/b15-11-.
What are the key properties of (Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 50856073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).