1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide

C15H15N3O2 — CID 166204501

IUPAC1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cccc(/C=C/C(=O)N2CCCC2C(N)=O)c1
InChIInChI=1S/C15H15N3O2/c16-10-12-4-1-3-11(9-12)6-7-14(19)18-8-2-5-13(18)15(17)20/h1,3-4,6-7,9,13H,2,5,8H2,(H2,17,20)/b7-6+
InChIKeyMYPUFUSPJBTDGI-VOTSOKGWSA-N
MW269.30 g/mol
LogP1.05
Rot. Bonds3

About 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide

1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide (PubChem CID 166204501) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
PubChem CID166204501
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cccc(/C=C/C(=O)N2CCCC2C(N)=O)c1
InChIInChI=1S/C15H15N3O2/c16-10-12-4-1-3-11(9-12)6-7-14(19)18-8-2-5-13(18)15(17)20/h1,3-4,6-7,9,13H,2,5,8H2,(H2,17,20)/b7-6+
InChIKeyMYPUFUSPJBTDGI-VOTSOKGWSA-N
XLogP1.05
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-3-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]benzonitrile
CID 166227116
3-[(E)-3-(2,3-dimethylpyrrolidin-1-yl)-3-oxoprop-1-enyl]benzonitrile
CID 166223257
3-[3-(3-hydroxypiperidin-1-yl)-3-oxoprop-1-enyl]benzonitrile
CID 74875632
(2S)-1-[(E)-4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxamide
CID 70321115
ethyl 1-[3-(3-methylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 76912440
methyl 4-[(E)-3-(2-carbamoylpyrrolidin-1-yl)-3-oxoprop-1-enyl]benzoate
CID 56826287
[1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]piperidin-4-yl] prop-2-enoate
CID 70287832
(2R)-1-[3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 78922252
3-[(E)-3-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-oxoprop-1-enyl]benzonitrile
CID 75479750
3-(3-oxobut-1-enyl)benzonitrile
CID 54320698
1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid
CID 43092189
methyl 1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 43410235

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide (CID 166204501) is 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide is N#Cc1cccc(/C=C/C(=O)N2CCCC2C(N)=O)c1.
What is the InChIKey of 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
The InChIKey is MYPUFUSPJBTDGI-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-10-12-4-1-3-11(9-12)6-7-14(19)18-8-2-5-13(18)15(17)20/h1,3-4,6-7,9,13H,2,5,8H2,(H2,17,20)/b7-6+.
What are the key properties of 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide?
1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166204501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).