1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H21NO2 — CID 103465010

IUPAC1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCCC(C)(C)CN1CC(CO)CC1=O
InChIInChI=1S/C11H21NO2/c1-4-11(2,3)8-12-6-9(7-13)5-10(12)14/h9,13H,4-8H2,1-3H3
InChIKeyNULSSJIQFPUERL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.26
Rot. Bonds4

About 1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 103465010) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID103465010
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCCC(C)(C)CN1CC(CO)CC1=O
InChIInChI=1S/C11H21NO2/c1-4-11(2,3)8-12-6-9(7-13)5-10(12)14/h9,13H,4-8H2,1-3H3
InChIKeyNULSSJIQFPUERL-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 106900848
4-(hydroxymethyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-2-one
CID 168661946
4-(chloromethyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 168506958
S-[[1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666302
1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662020
2,2-dimethyl-3-(2-oxo-4-propylpyrrolidin-1-yl)propanoic acid
CID 104511137
N-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 168662030
4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
CID 168663026
4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one
CID 67116912
1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 104830094
tert-butyl N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2,2-dimethylpropyl]carbamate
CID 168506900

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 103465010) is 1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one is CCC(C)(C)CN1CC(CO)CC1=O.
What is the InChIKey of 1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is NULSSJIQFPUERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(2,3)8-12-6-9(7-13)5-10(12)14/h9,13H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 103465010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).