2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol

C12H21NO — CID 115647939

IUPAC2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol
SMILESOCCC1CCN(C2C=CCCC2)C1
InChIInChI=1S/C12H21NO/c14-9-7-11-6-8-13(10-11)12-4-2-1-3-5-12/h2,4,11-12,14H,1,3,5-10H2
InChIKeySWYPGUMGKPRVBG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds3

About 2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol

2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol (PubChem CID 115647939) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol
PubChem CID115647939
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol
SMILESOCCC1CCN(C2C=CCCC2)C1
InChIInChI=1S/C12H21NO/c14-9-7-11-6-8-13(10-11)12-4-2-1-3-5-12/h2,4,11-12,14H,1,3,5-10H2
InChIKeySWYPGUMGKPRVBG-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanamine
CID 114620570
N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine
CID 114620809
(3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine
CID 104975560
1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
CID 114620010
methyl (3S)-1-cyclohex-2-en-1-ylpiperidine-3-carboxylate
CID 103714081
1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide
CID 56574620
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 114802980
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)ethanol
CID 19426624
methyl 2-[(2R)-4-[(1R)-cyclohex-2-en-1-yl]morpholin-2-yl]acetate
CID 96999144
tert-butyl N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]-N-propan-2-ylcarbamate
CID 56514556
2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol
CID 114799777
7-(2,3,4,6,7,9a-hexahydro-1H-quinolizin-3-ylmethyl)-3-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine
CID 130270557

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol (CID 115647939) is 2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol is OCCC1CCN(C2C=CCCC2)C1.
What is the InChIKey of 2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol?
The InChIKey is SWYPGUMGKPRVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-9-7-11-6-8-13(10-11)12-4-2-1-3-5-12/h2,4,11-12,14H,1,3,5-10H2.
What are the key properties of 2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol?
2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol has a molecular weight of 195.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohex-2-en-1-ylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 115647939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).