1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide

C15H19N3O2 — CID 115343409

IUPAC1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C15H19N3O2/c1-17-15(20)13-3-2-10-18(13)14(19)9-6-11-4-7-12(16)8-5-11/h4-9,13H,2-3,10,16H2,1H3,(H,17,20)/b9-6+
InChIKeyNDIPYBFMZKICGV-RMKNXTFCSA-N
MW273.34 g/mol
LogP1.02
Rot. Bonds3

About 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide

1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 115343409) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID115343409
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C15H19N3O2/c1-17-15(20)13-3-2-10-18(13)14(19)9-6-11-4-7-12(16)8-5-11/h4-9,13H,2-3,10,16H2,1H3,(H,17,20)/b9-6+
InChIKeyNDIPYBFMZKICGV-RMKNXTFCSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897284
methyl 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]piperidine-2-carboxylate
CID 115343233
N-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
CID 71716967
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpiperidine-3-carboxamide
CID 103195240
1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897286
1-but-2-enoyl-N-methylpyrrolidine-2-carboxamide
CID 78943698
methyl 4-[(E)-3-(2-carbamoylpyrrolidin-1-yl)-3-oxoprop-1-enyl]benzoate
CID 56826287
1-[3-[4-(methylsulfamoyl)phenyl]prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 126786839
1-[3-(2-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897283
(2S)-1-[(E)-3-(4-carbamoylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 51885587
1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 43355566
1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide
CID 77100908

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide (CID 115343409) is 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is NDIPYBFMZKICGV-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-15(20)13-3-2-10-18(13)14(19)9-6-11-4-7-12(16)8-5-11/h4-9,13H,2-3,10,16H2,1H3,(H,17,20)/b9-6+.
What are the key properties of 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide?
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115343409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).