3-(cyclohexylmethyl)pyrrolidin-3-ol

C11H21NO — CID 65145841

IUPAC3-(cyclohexylmethyl)pyrrolidin-3-ol
SMILESOC1(CC2CCCCC2)CCNC1
InChIInChI=1S/C11H21NO/c13-11(6-7-12-9-11)8-10-4-2-1-3-5-10/h10,12-13H,1-9H2
InChIKeyJOFUSZOZWGMFRK-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.68
Rot. Bonds2

About 3-(cyclohexylmethyl)pyrrolidin-3-ol

3-(cyclohexylmethyl)pyrrolidin-3-ol (PubChem CID 65145841) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(cyclohexylmethyl)pyrrolidin-3-ol
PubChem CID65145841
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(cyclohexylmethyl)pyrrolidin-3-ol
SMILESOC1(CC2CCCCC2)CCNC1
InChIInChI=1S/C11H21NO/c13-11(6-7-12-9-11)8-10-4-2-1-3-5-10/h10,12-13H,1-9H2
InChIKeyJOFUSZOZWGMFRK-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(cyclohexylmethyl)pyrrolidin-3-ol (CID 65145841) is 3-(cyclohexylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(cyclohexylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(cyclohexylmethyl)pyrrolidin-3-ol is OC1(CC2CCCCC2)CCNC1.
What is the InChIKey of 3-(cyclohexylmethyl)pyrrolidin-3-ol?
The InChIKey is JOFUSZOZWGMFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c13-11(6-7-12-9-11)8-10-4-2-1-3-5-10/h10,12-13H,1-9H2.
What are the key properties of 3-(cyclohexylmethyl)pyrrolidin-3-ol?
3-(cyclohexylmethyl)pyrrolidin-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 65145841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).