(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol

C11H21NO — CID 15188056

IUPAC(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESC[C@@H]1CCC[C@H](O)[C@H]1N1CCCC1
InChIInChI=1S/C11H21NO/c1-9-5-4-6-10(13)11(9)12-7-2-3-8-12/h9-11,13H,2-8H2,1H3/t9-,10+,11+/m1/s1
InChIKeyRFWGSOYFBULTTF-VWYCJHECSA-N
MW183.29 g/mol
LogP1.63
Rot. Bonds1

About (1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol

(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol (PubChem CID 15188056) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
PubChem CID15188056
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESC[C@@H]1CCC[C@H](O)[C@H]1N1CCCC1
InChIInChI=1S/C11H21NO/c1-9-5-4-6-10(13)11(9)12-7-2-3-8-12/h9-11,13H,2-8H2,1H3/t9-,10+,11+/m1/s1
InChIKeyRFWGSOYFBULTTF-VWYCJHECSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15188055
(1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 54291635
2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64753048
cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
(2S)-2,3-dimethylcyclohexan-1-ol
CID 163715322
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
1-[(2R)-2-methylcyclopentyl]piperidine
CID 59715874
2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
CID 65062610
1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol
CID 131182347
1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid
CID 65072053

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol (CID 15188056) is (1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol is C[C@@H]1CCC[C@H](O)[C@H]1N1CCCC1.
What is the InChIKey of (1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The InChIKey is RFWGSOYFBULTTF-VWYCJHECSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-5-4-6-10(13)11(9)12-7-2-3-8-12/h9-11,13H,2-8H2,1H3/t9-,10+,11+/m1/s1.
What are the key properties of (1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol?
(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol is sourced from PubChem (CID 15188056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).