3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol

C11H19NO — CID 106650885

IUPAC3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C2=CCCCC2)C1
InChIInChI=1S/C11H19NO/c1-12-8-7-11(13,9-12)10-5-3-2-4-6-10/h5,13H,2-4,6-9H2,1H3
InChIKeyGSAQOGLUATWRRO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds1

About 3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol

3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol (PubChem CID 106650885) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol
PubChem CID106650885
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C2=CCCCC2)C1
InChIInChI=1S/C11H19NO/c1-12-8-7-11(13,9-12)10-5-3-2-4-6-10/h5,13H,2-4,6-9H2,1H3
InChIKeyGSAQOGLUATWRRO-UHFFFAOYSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
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

1,1-Di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol
CID 19608986
(Dimethylaminoethyl)bis(1-cyclohexenyl)-methanol
CID 54563448
7-(2-methylprop-1-enyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 81611936
1-(2-methylprop-1-enyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 81886676
2-[(1R,6R)-9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-2-ol
CID 101613769
4-(Cycloocten-1-yl)-1-methylpiperidin-4-ol
CID 106650845
4-(Cyclohexen-1-yl)-1-methylpiperidin-4-ol
CID 106650846
4-(Cyclohepten-1-yl)-1-methylpiperidin-4-ol
CID 106650847
4-(Cycloocten-1-yl)-1-ethylpiperidin-4-ol
CID 106650848
4-(Cyclohexen-1-yl)-1-ethylpiperidin-4-ol
CID 106650849
4-(Cyclohepten-1-yl)-1-ethylpiperidin-4-ol
CID 106650850
4-(Cycloocten-1-yl)-1-propylpiperidin-4-ol
CID 106650851

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol (CID 106650885) is 3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(C2=CCCCC2)C1.
What is the InChIKey of 3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol?
The InChIKey is GSAQOGLUATWRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12-8-7-11(13,9-12)10-5-3-2-4-6-10/h5,13H,2-4,6-9H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol?
3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 106650885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).