1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one

C7H13NO2 — CID 140856572

IUPAC1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)CCC(=O)N1CO
InChIInChI=1S/C7H13NO2/c1-7(2)4-3-6(10)8(7)5-9/h9H,3-5H2,1-2H3
InChIKeyLOTSWFGMBUDZBP-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.34
Rot. Bonds1

About 1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one

1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 140856572) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID140856572
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)CCC(=O)N1CO
InChIInChI=1S/C7H13NO2/c1-7(2)4-3-6(10)8(7)5-9/h9H,3-5H2,1-2H3
InChIKeyLOTSWFGMBUDZBP-UHFFFAOYSA-N
XLogP0.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-5,5-dimethylpyrrolidin-2-one
CID 14887124
1-(2-ethoxyethyl)-5,5-dimethylpyrrolidin-2-one
CID 135054228
2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-prop-2-enylacetamide
CID 68757114
1-acetyl-5,5-dimethylpyrrolidin-2-one
CID 144885705
methyl 2,2-dimethyl-5-oxopyrrolidine-1-carboxylate
CID 45122962
3,3-diethyl-1-(hydroxymethyl)piperidine-2,6-dione
CID 130127887
2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid
CID 159584940
2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]acetamide
CID 70609594
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione
CID 107849864
[(1R)-1-[3-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoylamino]-2-(4-methylphenyl)ethyl]boronic acid
CID 140880192
8-[(2,2-dimethyl-5-oxopyrrolidin-1-yl)methyl]-8-hydroxy-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66551684
1,5-dihydroxy-5-methylpiperidin-2-one
CID 13423496

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one (CID 140856572) is 1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one is CC1(C)CCC(=O)N1CO.
What is the InChIKey of 1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is LOTSWFGMBUDZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)4-3-6(10)8(7)5-9/h9H,3-5H2,1-2H3.
What are the key properties of 1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one?
1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 140856572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).