[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone

C12H21NO2 — CID 92978387

IUPAC[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCC[C@H]1CO)N1CCCC1
InChIInChI=1S/C12H21NO2/c14-9-10-5-1-2-6-11(10)12(15)13-7-3-4-8-13/h10-11,14H,1-9H2/t10-,11+/m0/s1
InChIKeyIPUJFHMGTQFTHV-WDEREUQCSA-N
MW211.30 g/mol
LogP1.41
Rot. Bonds2

About [(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone

[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone (PubChem CID 92978387) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone
PubChem CID92978387
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCC[C@H]1CO)N1CCCC1
InChIInChI=1S/C12H21NO2/c14-9-10-5-1-2-6-11(10)12(15)13-7-3-4-8-13/h10-11,14H,1-9H2/t10-,11+/m0/s1
InChIKeyIPUJFHMGTQFTHV-WDEREUQCSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2837862
(3aR,7aS)-2-(4-hydroxybutyl)hexahydro-1H-isoindole-1,3(2H)-dione
CID 154700090
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-hydroxycyclohexyl)ethanone
CID 174506614
2-Allyl-3-hydroxyhexahydro-1-isoindolone
CID 129840277
(4,4-Difluorocyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 81932734
[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 104622418
[3-(2-Hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 115746512
[3-(Hydroxymethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 115775430
(3R,3aR,7aS)-3-hydroxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 10012313
3-hydroxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 12394610
[2-(Hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 14127583
(1S,trans) 1-[(2hydroxymethyl-1-cyclohexyl)-carbonyl]-pyrrolidine
CID 14127584

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone (CID 92978387) is [(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1CCCC[C@H]1CO)N1CCCC1.
What is the InChIKey of [(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The InChIKey is IPUJFHMGTQFTHV-WDEREUQCSA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-10-5-1-2-6-11(10)12(15)13-7-3-4-8-13/h10-11,14H,1-9H2/t10-,11+/m0/s1.
What are the key properties of [(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone has a molecular weight of 211.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 92978387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).