2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol

C13H25NO — CID 117245950

IUPAC2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESOCC(CN1CCCC1)C1CCCCC1
InChIInChI=1S/C13H25NO/c15-11-13(10-14-8-4-5-9-14)12-6-2-1-3-7-12/h12-13,15H,1-11H2
InChIKeyMPOFHPFWXANEPR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.27
Rot. Bonds4

About 2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol

2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 117245950) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID117245950
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESOCC(CN1CCCC1)C1CCCCC1
InChIInChI=1S/C13H25NO/c15-11-13(10-14-8-4-5-9-14)12-6-2-1-3-7-12/h12-13,15H,1-11H2
InChIKeyMPOFHPFWXANEPR-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol (CID 117245950) is 2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol is OCC(CN1CCCC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is MPOFHPFWXANEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c15-11-13(10-14-8-4-5-9-14)12-6-2-1-3-7-12/h12-13,15H,1-11H2.
What are the key properties of 2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol?
2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 117245950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).