1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol

C13H21NO — CID 780741

IUPAC1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CCN2CCCC2)CCCCC1
InChIInChI=1S/C13H21NO/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14/h15H,1-5,7-8,10-12H2
InChIKeyKGFWEMXZEJKCKM-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.78
Rot. Bonds1

About 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol

1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol (PubChem CID 780741) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol
PubChem CID780741
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CCN2CCCC2)CCCCC1
InChIInChI=1S/C13H21NO/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14/h15H,1-5,7-8,10-12H2
InChIKeyKGFWEMXZEJKCKM-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol (CID 780741) is 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol is OC1(C#CCN2CCCC2)CCCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol?
The InChIKey is KGFWEMXZEJKCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14/h15H,1-5,7-8,10-12H2.
What are the key properties of 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol?
1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 780741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).