1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone

C13H23NO2 — CID 124874523

IUPAC1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O
InChIInChI=1S/C13H23NO2/c1-9-5-6-13(16)11(8-9)12-4-3-7-14(12)10(2)15/h9,11-13,16H,3-8H2,1-2H3/t9-,11+,12-,13+/m1/s1
InChIKeyDPAKSVREXUVEGZ-MGAJPHDKSA-N
MW225.33 g/mol
LogP1.79
Rot. Bonds1

About 1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone (PubChem CID 124874523) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone
PubChem CID124874523
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O
InChIInChI=1S/C13H23NO2/c1-9-5-6-13(16)11(8-9)12-4-3-7-14(12)10(2)15/h9,11-13,16H,3-8H2,1-2H3/t9-,11+,12-,13+/m1/s1
InChIKeyDPAKSVREXUVEGZ-MGAJPHDKSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(4S,4aR,8aR)-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 7107075
(3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone
CID 125141199
methyl 5-[(2R)-2-[(1S,2S,5S)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carbonyl]furan-2-carboxylate
CID 100701773
1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 136540092
N-[2-[(2S)-2-[(1R,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 125141149
(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide
CID 124844803
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
(2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide
CID 124739584
1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone
CID 130138354
2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136540150
(4aS,7aS)-1-acetyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-4-carboxylic acid
CID 167740733
1-[2-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone
CID 130138213

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone (CID 124874523) is 1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O.
What is the InChIKey of 1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone?
The InChIKey is DPAKSVREXUVEGZ-MGAJPHDKSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-5-6-13(16)11(8-9)12-4-3-7-14(12)10(2)15/h9,11-13,16H,3-8H2,1-2H3/t9-,11+,12-,13+/m1/s1.
What are the key properties of 1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone has a molecular weight of 225.33 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124874523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).