1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one

C13H21NO — CID 106655664

IUPAC1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESO=C(CCC1CCNC1)C1=CCCCC1
InChIInChI=1S/C13H21NO/c15-13(12-4-2-1-3-5-12)7-6-11-8-9-14-10-11/h4,11,14H,1-3,5-10H2
InChIKeyHVTIKSGWPSSSKZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.45
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one

1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one (PubChem CID 106655664) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one
PubChem CID106655664
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESO=C(CCC1CCNC1)C1=CCCCC1
InChIInChI=1S/C13H21NO/c15-13(12-4-2-1-3-5-12)7-6-11-8-9-14-10-11/h4,11,14H,1-3,5-10H2
InChIKeyHVTIKSGWPSSSKZ-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.45
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
Cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655348
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
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
3-[2-(Ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 53958598
2,4,4-Trimethyl-6-methylidene-3-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 53978484
3-[2-(Ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
CID 53991026

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one (CID 106655664) is 1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one is O=C(CCC1CCNC1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one?
The InChIKey is HVTIKSGWPSSSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(12-4-2-1-3-5-12)7-6-11-8-9-14-10-11/h4,11,14H,1-3,5-10H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one?
1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-pyrrolidin-3-ylpropan-1-one is sourced from PubChem (CID 106655664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).