1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one

C11H19NO2 — CID 69469375

IUPAC1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(O)C1CCCCC1
InChIInChI=1S/C11H19NO2/c13-10-7-4-8-12(10)11(14)9-5-2-1-3-6-9/h9,11,14H,1-8H2
InChIKeyNGSVHHYURWRWMG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.51
Rot. Bonds2

About 1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one

1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one (PubChem CID 69469375) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one
PubChem CID69469375
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(O)C1CCCCC1
InChIInChI=1S/C11H19NO2/c13-10-7-4-8-12(10)11(14)9-5-2-1-3-6-9/h9,11,14H,1-8H2
InChIKeyNGSVHHYURWRWMG-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-Hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 85727890
[2-(Hydroxymethyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 14127583
(1S,trans) 1-[(2hydroxymethyl-1-cyclohexyl)-carbonyl]-pyrrolidine
CID 14127584
1-(Cyclohexylmethyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 20372056
1-(8-Hydroxyoctyl)pyrrolidin-2-one
CID 57241755
(4S)-4-(4-hydroxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one
CID 59109334
1-(Cis-4-hydroxymethyl-cyclohexyl)-pyrrolidin-2-one
CID 59299390
Cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59917884
1-(1-Hydroxydecyl)pyrrolidin-2-one
CID 69262098
2-(Cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 70237402
1-(7-Hydroxyheptyl)-1-methylpyrrolidin-1-ium-2-one bromide
CID 89439099
1-(7-Hydroxyheptyl)-1-methylpyrrolidin-1-ium-2-one chloride
CID 89439174

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one (CID 69469375) is 1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one is O=C1CCCN1C(O)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one?
The InChIKey is NGSVHHYURWRWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-10-7-4-8-12(10)11(14)9-5-2-1-3-6-9/h9,11,14H,1-8H2.
What are the key properties of 1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one?
1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(hydroxy)methyl]pyrrolidin-2-one is sourced from PubChem (CID 69469375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).