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

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Related Compounds

1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol
CID 131182347
2-(4,4-dimethylpiperidin-1-yl)cyclooctan-1-ol
CID 62930764
1-(2-ethylcyclohexyl)-3-methylpyrrolidin-3-ol
CID 105400820
1-(2-hydroxycyclobutyl)-3-methylazetidin-3-ol
CID 126856761
(1S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol
CID 45358553
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-methylpyrrolidin-3-ol
CID 103728756
trans-(1S,2S)-2-(3,3,4-trimethylpiperazin-1-yl)cyclopentan-1-ol
CID 102734745
trans-(1R,2R)-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 154763399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol
CID 127006797
2-(2,2-dimethylthiomorpholin-4-yl)cyclopentan-1-ol
CID 115772947

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).