(E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide

C14H14N2O — CID 110470241

IUPAC(E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C14H14N2O/c1-2-5-14(17)15-12-6-8-13(9-7-12)16-10-3-4-11-16/h2-11H,1H3,(H,15,17)/b5-2+
InChIKeySCSYBLYVVJKAIT-GORDUTHDSA-N
MW226.28 g/mol
LogP2.99
Rot. Bonds3

About (E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide

(E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide (PubChem CID 110470241) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide
PubChem CID110470241
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C14H14N2O/c1-2-5-14(17)15-12-6-8-13(9-7-12)16-10-3-4-11-16/h2-11H,1H3,(H,15,17)/b5-2+
InChIKeySCSYBLYVVJKAIT-GORDUTHDSA-N
XLogP2.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(4-pyrrol-1-ylphenyl)but-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

(Z)-N-phenylbut-2-enamide
CID 59909226
methyl N-(4-pyrrol-1-ylphenyl)carbamate
CID 110726346
N-[4-(carbamoylamino)phenyl]but-2-enamide
CID 78997401
3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
CID 110726327
(Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide
CID 145382595
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
4-oxo-4-(4-pyrrol-1-ylanilino)butanoic acid
CID 110471076
(E)-N-(3-pyrazol-1-ylphenyl)but-2-enamide
CID 110470249
1,1-bis(2-methylpropyl)-3-(4-pyrrol-1-ylphenyl)urea
CID 108886840
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
CID 110470122
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide?
The IUPAC name of (E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide (CID 110470241) is (E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide?
The canonical SMILES for (E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide is C/C=C/C(=O)Nc1ccc(-n2cccc2)cc1.
What is the InChIKey of (E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide?
The InChIKey is SCSYBLYVVJKAIT-GORDUTHDSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-5-14(17)15-12-6-8-13(9-7-12)16-10-3-4-11-16/h2-11H,1H3,(H,15,17)/b5-2+.
What are the key properties of (E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide?
(E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide has a molecular weight of 226.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide is sourced from PubChem (CID 110470241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).