2-cyclohexyl-2-pyrrolidin-1-ylethanol

C12H23NO — CID 116860389

IUPAC2-cyclohexyl-2-pyrrolidin-1-ylethanol
SMILESOCC(C1CCCCC1)N1CCCC1
InChIInChI=1S/C12H23NO/c14-10-12(13-8-4-5-9-13)11-6-2-1-3-7-11/h11-12,14H,1-10H2
InChIKeyREPUTIVEPXMEMG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds3

About 2-cyclohexyl-2-pyrrolidin-1-ylethanol

2-cyclohexyl-2-pyrrolidin-1-ylethanol (PubChem CID 116860389) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name2-cyclohexyl-2-pyrrolidin-1-ylethanol
PubChem CID116860389
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-cyclohexyl-2-pyrrolidin-1-ylethanol
SMILESOCC(C1CCCCC1)N1CCCC1
InChIInChI=1S/C12H23NO/c14-10-12(13-8-4-5-9-13)11-6-2-1-3-7-11/h11-12,14H,1-10H2
InChIKeyREPUTIVEPXMEMG-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-pyrrolidin-1-ylethanol?
The IUPAC name of 2-cyclohexyl-2-pyrrolidin-1-ylethanol (CID 116860389) is 2-cyclohexyl-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 2-cyclohexyl-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 2-cyclohexyl-2-pyrrolidin-1-ylethanol is OCC(C1CCCCC1)N1CCCC1.
What is the InChIKey of 2-cyclohexyl-2-pyrrolidin-1-ylethanol?
The InChIKey is REPUTIVEPXMEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c14-10-12(13-8-4-5-9-13)11-6-2-1-3-7-11/h11-12,14H,1-10H2.
What are the key properties of 2-cyclohexyl-2-pyrrolidin-1-ylethanol?
2-cyclohexyl-2-pyrrolidin-1-ylethanol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 116860389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).