1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone

C12H19NO — CID 106655452

IUPAC1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)C1=CCCCC1
InChIInChI=1S/C12H19NO/c14-12(8-10-6-7-13-9-10)11-4-2-1-3-5-11/h4,10,13H,1-3,5-9H2
InChIKeyNOZDFKWQGVZXAY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.06
Rot. Bonds3

About 1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone

1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone (PubChem CID 106655452) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone
PubChem CID106655452
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)C1=CCCCC1
InChIInChI=1S/C12H19NO/c14-12(8-10-6-7-13-9-10)11-4-2-1-3-5-11/h4,10,13H,1-3,5-9H2
InChIKeyNOZDFKWQGVZXAY-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorocyclohexen-1-yl)-piperidin-4-ylmethanone
CID 68199885
(4-Fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone
CID 123445741
2,3,7,7a-Tetrahydro-1h-isoindol-5(6h)-one
CID 133188431
Cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655347
Cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655348
Cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655349
1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-2-methylpropan-1-one
CID 101659988
3,4-Diethyl-1,2,3,3a,4,5-hexahydroindol-6-one
CID 20231126
5,5-Dimethyl-2-piperidin-3-ylcyclohex-2-en-1-one
CID 22712717
4,4-Dimethyl-2-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-one
CID 53689335
2-(3,3-Dimethylpyrrolidin-2-yl)-6-methylidenecyclohex-2-en-1-one
CID 53709339
4,4-Dimethyl-6-methylidene-2-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 53815165

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone (CID 106655452) is 1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone is O=C(CC1CCNC1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone?
The InChIKey is NOZDFKWQGVZXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12(8-10-6-7-13-9-10)11-4-2-1-3-5-11/h4,10,13H,1-3,5-9H2.
What are the key properties of 1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone?
1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone has a molecular weight of 193.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 106655452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).