1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol

C11H21NO2 — CID 103357582

IUPAC1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN([C@@H]2CCCC[C@H]2O)C1
InChIInChI=1S/C11H21NO2/c1-11(14)6-7-12(8-11)9-4-2-3-5-10(9)13/h9-10,13-14H,2-8H2,1H3/t9-,10-,11?/m1/s1
InChIKeyNPGCZUIRDKNKRK-DIOIDXFWSA-N
MW199.29 g/mol
LogP0.75
Rot. Bonds1

About 1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol

1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol (PubChem CID 103357582) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol
PubChem CID103357582
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN([C@@H]2CCCC[C@H]2O)C1
InChIInChI=1S/C11H21NO2/c1-11(14)6-7-12(8-11)9-4-2-3-5-10(9)13/h9-10,13-14H,2-8H2,1H3/t9-,10-,11?/m1/s1
InChIKeyNPGCZUIRDKNKRK-DIOIDXFWSA-N
XLogP0.75
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol (CID 103357582) is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN([C@@H]2CCCC[C@H]2O)C1.
What is the InChIKey of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol?
The InChIKey is NPGCZUIRDKNKRK-DIOIDXFWSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(14)6-7-12(8-11)9-4-2-3-5-10(9)13/h9-10,13-14H,2-8H2,1H3/t9-,10-,11?/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol?
1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol has a molecular weight of 199.29 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103357582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).