1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide

C18H22N2O2 — CID 47022864

IUPAC1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C18H22N2O2/c21-17(13-14-7-4-5-8-14)20-12-6-11-16(20)18(22)19-15-9-2-1-3-10-15/h1-4,7,9-10,14,16H,5-6,8,11-13H2,(H,19,22)
InChIKeyVNDHNZLJOMFIIG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.97
Rot. Bonds4

About 1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide

1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide (PubChem CID 47022864) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide
PubChem CID47022864
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C18H22N2O2/c21-17(13-14-7-4-5-8-14)20-12-6-11-16(20)18(22)19-15-9-2-1-3-10-15/h1-4,7,9-10,14,16H,5-6,8,11-13H2,(H,19,22)
InChIKeyVNDHNZLJOMFIIG-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.97
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

(2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61137940
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
(2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid
CID 79034852
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
2-[(1R)-cyclohex-2-en-1-yl]-N-phenylacetamide
CID 102462286

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide (CID 47022864) is 1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide is O=C(Nc1ccccc1)C1CCCN1C(=O)CC1C=CCC1.
What is the InChIKey of 1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is VNDHNZLJOMFIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17(13-14-7-4-5-8-14)20-12-6-11-16(20)18(22)19-15-9-2-1-3-10-15/h1-4,7,9-10,14,16H,5-6,8,11-13H2,(H,19,22).
What are the key properties of 1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide?
1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopent-2-en-1-ylacetyl)-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47022864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).