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

C13H22ClNO — CID 24747070

IUPAC1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride
SMILESCl.OC1(C#CCN2CCCC2)CCCCC1
InChIInChI=1S/C13H21NO.ClH/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14;/h15H,1-5,7-8,10-12H2;1H
InChIKeyWSVJUNQKTOMCPI-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.20
Rot. Bonds1

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

1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride (PubChem CID 24747070) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride
PubChem CID24747070
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride
SMILESCl.OC1(C#CCN2CCCC2)CCCCC1
InChIInChI=1S/C13H21NO.ClH/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14;/h15H,1-5,7-8,10-12H2;1H
InChIKeyWSVJUNQKTOMCPI-UHFFFAOYSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.20
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;hydrochloride?
The IUPAC name of 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride (CID 24747070) is 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride is Cl.OC1(C#CCN2CCCC2)CCCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is WSVJUNQKTOMCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.ClH/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14;/h15H,1-5,7-8,10-12H2;1H.
What are the key properties of 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride?
1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 2.20, 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;hydrochloride is sourced from PubChem (CID 24747070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).