[1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol

C13H23NO — CID 53215529

IUPAC[1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCC2=CCCCC2)C1
InChIInChI=1S/C13H23NO/c15-11-13-7-9-14(10-13)8-6-12-4-2-1-3-5-12/h4,13,15H,1-3,5-11H2
InChIKeyVSVSFMYEAOIIJX-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds4

About [1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol

[1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol (PubChem CID 53215529) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol
PubChem CID53215529
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCC2=CCCCC2)C1
InChIInChI=1S/C13H23NO/c15-11-13-7-9-14(10-13)8-6-12-4-2-1-3-5-12/h4,13,15H,1-3,5-11H2
InChIKeyVSVSFMYEAOIIJX-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol (CID 53215529) is [1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol is OCC1CCN(CCC2=CCCCC2)C1.
What is the InChIKey of [1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is VSVSFMYEAOIIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-11-13-7-9-14(10-13)8-6-12-4-2-1-3-5-12/h4,13,15H,1-3,5-11H2.
What are the key properties of [1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol?
[1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 209.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 53215529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).