1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone

C12H19NO — CID 134980510

IUPAC1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1CCC=CC1N1CCCC1
InChIInChI=1S/C12H19NO/c1-10(14)11-6-2-3-7-12(11)13-8-4-5-9-13/h3,7,11-12H,2,4-6,8-9H2,1H3
InChIKeyUIQQJYAWVLILLG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.01
Rot. Bonds2

About 1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone

1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone (PubChem CID 134980510) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone
PubChem CID134980510
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1CCC=CC1N1CCCC1
InChIInChI=1S/C12H19NO/c1-10(14)11-6-2-3-7-12(11)13-8-4-5-9-13/h3,7,11-12H,2,4-6,8-9H2,1H3
InChIKeyUIQQJYAWVLILLG-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6E)-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclohexan-1-one
CID 10465625
(2E)-2-[[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methylidene]-6-methylcyclohexan-1-one
CID 11775744
(2Z)-2-[[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methylidene]-6-methylcyclohexan-1-one
CID 44350318
(6Z)-2-methyl-6-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclohexan-1-one
CID 44350168
2-(Diethylamino)cyclohex-3-ene-1-carbaldehyde
CID 121219528
1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone
CID 134855694
1-[(1R,6S)-6-(2,6-dimethylhept-5-enyl)-2-pyrrolidin-1-ylcyclohex-3-en-1-yl]ethanone
CID 134979913
1-[(1R,6S)-6-methyl-2-pyrrolidin-1-ylcyclohex-3-en-1-yl]ethanone
CID 134991537
(1R,2S,4R,5S)-2,8-dimethyl-4-propyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138967016
(1R,4R,5S)-2,2,4,8-tetramethyl-8-azabicyclo[3.2.1]oct-6-en-3-one
CID 138967017
1-[(1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-en-1-yl]ethanone
CID 138972478
(5r)5-Methyl-6-((z)-1,2,3,8a-tetrahydroindolizin-6(5h)ylidene)-2-hexanone
CID 156025313

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone (CID 134980510) is 1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone is CC(=O)C1CCC=CC1N1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone?
The InChIKey is UIQQJYAWVLILLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(14)11-6-2-3-7-12(11)13-8-4-5-9-13/h3,7,11-12H,2,4-6,8-9H2,1H3.
What are the key properties of 1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone?
1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone has a molecular weight of 193.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 134980510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).