2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone

C12H21NO2 — CID 62917593

IUPAC2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CCC(O)C1
InChIInChI=1S/C12H21NO2/c14-11-6-7-13(9-11)12(15)8-10-4-2-1-3-5-10/h10-11,14H,1-9H2
InChIKeyWZVCAWDJCRWVKW-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.55
Rot. Bonds2

About 2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone

2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 62917593) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID62917593
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CCC(O)C1
InChIInChI=1S/C12H21NO2/c14-11-6-7-13(9-11)12(15)8-10-4-2-1-3-5-10/h10-11,14H,1-9H2
InChIKeyWZVCAWDJCRWVKW-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexanecarbonylazetidin-3-ol
CID 63107320
2-Cyclohexyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 72002113
1-(3-Hydroxypropyl)-1-azaspiro[4.5]decan-2-one
CID 60158971
4-cyclohexyl-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 60653485
rac-(3S,4S)-4-(dimethylamino)-1-[(trans-4-methylcyclohexyl)carbonyl]pyrrolidin-3-ol
CID 131945577
(4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone
CID 67953777
(4,4-difluorocyclohexyl)-[(4S)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone
CID 67953869
(4,4-Difluorocyclohexyl)-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone
CID 91524772
(4,4-difluorocyclohexyl)-[(4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
CID 117884710
(4,4-difluorocyclohexyl)-[(4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
CID 117884749
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)-2-methylnonan-1-one
CID 135200269
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylnonan-1-one
CID 135280512

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone (CID 62917593) is 2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone is O=C(CC1CCCCC1)N1CCC(O)C1.
What is the InChIKey of 2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is WZVCAWDJCRWVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11-6-7-13(9-11)12(15)8-10-4-2-1-3-5-10/h10-11,14H,1-9H2.
What are the key properties of 2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone?
2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 211.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62917593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).