2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol

C13H23NO — CID 70531556

IUPAC2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol
SMILESCCN1CCCC1(O)CC1=CCCCC1
InChIInChI=1S/C13H23NO/c1-2-14-10-6-9-13(14,15)11-12-7-4-3-5-8-12/h7,15H,2-6,8-11H2,1H3
InChIKeyMCTFRTJUVQWWHQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.68
Rot. Bonds3

About 2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol

2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol (PubChem CID 70531556) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol
PubChem CID70531556
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol
SMILESCCN1CCCC1(O)CC1=CCCCC1
InChIInChI=1S/C13H23NO/c1-2-14-10-6-9-13(14,15)11-12-7-4-3-5-8-12/h7,15H,2-6,8-11H2,1H3
InChIKeyMCTFRTJUVQWWHQ-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol?
The IUPAC name of 2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol (CID 70531556) is 2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol?
The canonical SMILES for 2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol is CCN1CCCC1(O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol?
The InChIKey is MCTFRTJUVQWWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-14-10-6-9-13(14,15)11-12-7-4-3-5-8-12/h7,15H,2-6,8-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol?
2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol has a molecular weight of 209.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol is sourced from PubChem (CID 70531556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).