2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone

C15H20N2O — CID 47028445

IUPAC2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C15H20N2O/c18-15(11-12-5-1-2-6-12)17-10-4-8-14(17)13-7-3-9-16-13/h1,3,5,7,9,12,14,16H,2,4,6,8,10-11H2
InChIKeyCTUBFQKIXQHAJG-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.03
Rot. Bonds3

About 2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone

2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 47028445) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID47028445
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C15H20N2O/c18-15(11-12-5-1-2-6-12)17-10-4-8-14(17)13-7-3-9-16-13/h1,3,5,7,9,12,14,16H,2,4,6,8,10-11H2
InChIKeyCTUBFQKIXQHAJG-UHFFFAOYSA-N
XLogP3.03
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 94485231
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 94485230
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 79203455
2-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]sulfanylacetic acid
CID 104569593
3-phenyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47028466
5-bromo-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 107909521
2-cyclopent-2-en-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 45351531
2-(2-aminophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 61108059
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 79203456
1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 41411146
(2S)-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61137940

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone (CID 47028445) is 2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone is O=C(CC1C=CCC1)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is CTUBFQKIXQHAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(11-12-5-1-2-6-12)17-10-4-8-14(17)13-7-3-9-16-13/h1,3,5,7,9,12,14,16H,2,4,6,8,10-11H2.
What are the key properties of 2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 244.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 47028445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).