N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C15H18N2O — CID 122559347

IUPACN-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN(C/C=C/c1ccccc1)C(=O)C1C=CCN1
InChIInChI=1S/C15H18N2O/c1-17(15(18)14-10-5-11-16-14)12-6-9-13-7-3-2-4-8-13/h2-10,14,16H,11-12H2,1H3/b9-6+
InChIKeyPVTYTVDCYYNJGG-RMKNXTFCSA-N
MW242.32 g/mol
LogP1.69
Rot. Bonds4

About N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 122559347) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID122559347
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN(C/C=C/c1ccccc1)C(=O)C1C=CCN1
InChIInChI=1S/C15H18N2O/c1-17(15(18)14-10-5-11-16-14)12-6-9-13-7-3-2-4-8-13/h2-10,14,16H,11-12H2,1H3/b9-6+
InChIKeyPVTYTVDCYYNJGG-RMKNXTFCSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide
CID 122566972
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122566922
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154910556
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
N-[2-(azepan-1-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122559026
N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 122392912
1,2-dimethyl-1-[(E)-3-phenylprop-2-enyl]hydrazine
CID 137382786
1-methyl-3-[(3R)-1-oxaspiro[4.5]decan-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 126431485
1-methyl-3-(1-oxaspiro[4.5]decan-3-yl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 121499432
3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 122559347) is N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is CN(C/C=C/c1ccccc1)C(=O)C1C=CCN1.
What is the InChIKey of N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is PVTYTVDCYYNJGG-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(15(18)14-10-5-11-16-14)12-6-9-13-7-3-2-4-8-13/h2-10,14,16H,11-12H2,1H3/b9-6+.
What are the key properties of N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-3-phenylprop-2-enyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122559347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).