1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H21NO2 — CID 104830094

IUPAC1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(N1CC(CO)CC1=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8(11(2,3)4)12-6-9(7-13)5-10(12)14/h8-9,13H,5-7H2,1-4H3
InChIKeyJOZDMSPMNMTXEA-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.26
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 104830094) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID104830094
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(N1CC(CO)CC1=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8(11(2,3)4)12-6-9(7-13)5-10(12)14/h8-9,13H,5-7H2,1-4H3
InChIKeyJOZDMSPMNMTXEA-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 130979524
4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one
CID 168661593
tert-butyl 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]butanoate
CID 22387022
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168661652
1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662020
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 127013544
2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661742
(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
CID 168658755
4-(hydroxymethyl)-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-one
CID 168661728
[1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680182

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 104830094) is 1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one is CC(N1CC(CO)CC1=O)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is JOZDMSPMNMTXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(11(2,3)4)12-6-9(7-13)5-10(12)14/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 104830094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).