(E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide

C15H16N2O — CID 106385593

IUPAC(E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C15H16N2O/c1-12-2-4-13(5-3-12)6-7-15(18)17-11-14-8-9-16-10-14/h2-10,16H,11H2,1H3,(H,17,18)/b7-6+
InChIKeyZFNSRUMASRWNFR-VOTSOKGWSA-N
MW240.31 g/mol
LogP2.65
Rot. Bonds4

About (E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide

(E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide (PubChem CID 106385593) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
PubChem CID106385593
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C15H16N2O/c1-12-2-4-13(5-3-12)6-7-15(18)17-11-14-8-9-16-10-14/h2-10,16H,11H2,1H3,(H,17,18)/b7-6+
InChIKeyZFNSRUMASRWNFR-VOTSOKGWSA-N
XLogP2.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 114181941
(E)-3-(4-nitrophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 106385535
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
(E)-N-(1H-pyrrol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 106385586
3-methyl-N-(1H-pyrrol-3-ylmethyl)but-2-enamide
CID 106385306
(E)-3-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 30384892
(E)-3-(3-amino-4-methylphenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 39380497
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7916746
methyl 2-methoxy-5-[[3-(4-methylphenyl)prop-2-enoylamino]methyl]benzoate
CID 75618723

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide (CID 106385593) is (E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCc2cc[nH]c2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide?
The InChIKey is ZFNSRUMASRWNFR-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12-2-4-13(5-3-12)6-7-15(18)17-11-14-8-9-16-10-14/h2-10,16H,11H2,1H3,(H,17,18)/b7-6+.
What are the key properties of (E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide?
(E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide has a molecular weight of 240.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 106385593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).