4-hydroxy-1,5-dimethylpyrrolidin-2-one

C6H11NO2 — CID 119031360

IUPAC4-hydroxy-1,5-dimethylpyrrolidin-2-one
SMILESCC1C(O)CC(=O)N1C
InChIInChI=1S/C6H11NO2/c1-4-5(8)3-6(9)7(4)2/h4-5,8H,3H2,1-2H3
InChIKeyBMZYUVDMIFVGRE-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.40
Rot. Bonds

About 4-hydroxy-1,5-dimethylpyrrolidin-2-one

4-hydroxy-1,5-dimethylpyrrolidin-2-one (PubChem CID 119031360) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-hydroxy-1,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,5-dimethylpyrrolidin-2-one
PubChem CID119031360
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-hydroxy-1,5-dimethylpyrrolidin-2-one
SMILESCC1C(O)CC(=O)N1C
InChIInChI=1S/C6H11NO2/c1-4-5(8)3-6(9)7(4)2/h4-5,8H,3H2,1-2H3
InChIKeyBMZYUVDMIFVGRE-UHFFFAOYSA-N
XLogP-0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-4-hydroxy-5-methylpyrrolidin-2-one
CID 10898693
(4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one
CID 11062347
1-(2-Hydroxyethyl)-5-methylpyrrolidin-2-one
CID 11963075
4-Hydroxy-1-methylpyrrolidin-2-one
CID 17811779
(4S)-4-hydroxy-1-methylpyrrolidin-2-one
CID 57237418
(4R)-4-hydroxy-1-methylpyrrolidin-2-one
CID 58967513
1-Cyclopropyl-4-hydroxypyrrolidin-2-one
CID 64157880
1-Acetyl-4-hydroxy-pyrrolidin-2-one
CID 539718
1-(3-Hydroxypropyl)-5-methylpyrrolidin-2-one
CID 21909102
4-Hydroxy-5-methylpyrrolidin-2-one
CID 85307823
(5S)-3-hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 170382340
3-Hydroxy-1-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 170574020

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1,5-dimethylpyrrolidin-2-one (CID 119031360) is 4-hydroxy-1,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1,5-dimethylpyrrolidin-2-one is CC1C(O)CC(=O)N1C.
What is the InChIKey of 4-hydroxy-1,5-dimethylpyrrolidin-2-one?
The InChIKey is BMZYUVDMIFVGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-5(8)3-6(9)7(4)2/h4-5,8H,3H2,1-2H3.
What are the key properties of 4-hydroxy-1,5-dimethylpyrrolidin-2-one?
4-hydroxy-1,5-dimethylpyrrolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 119031360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).