1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one

C11H21NO3 — CID 134299206

IUPAC1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one
SMILESCC(C)C1C(=O)N(O)C(O)C1(C)C(C)C
InChIInChI=1S/C11H21NO3/c1-6(2)8-9(13)12(15)10(14)11(8,5)7(3)4/h6-8,10,14-15H,1-5H3
InChIKeySUWUIVHOJWMLNH-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.47
Rot. Bonds2

About 1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one

1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one (PubChem CID 134299206) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one
PubChem CID134299206
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one
SMILESCC(C)C1C(=O)N(O)C(O)C1(C)C(C)C
InChIInChI=1S/C11H21NO3/c1-6(2)8-9(13)12(15)10(14)11(8,5)7(3)4/h6-8,10,14-15H,1-5H3
InChIKeySUWUIVHOJWMLNH-UHFFFAOYSA-N
XLogP1.47
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

(3S)-2,2-dimethyl-4-oxo-3-propan-2-ylazetidine-1-sulfonyl chloride
CID 130681680
(5S)-5-hydroxy-5-methyl-1-(2-methylpropyl)-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 149006376
1,2,3-trimethyl-1,4-di(propan-2-yl)cyclobutane
CID 123267529
1-(methoxymethyl)-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylic acid
CID 14623901
(2R)-1-hydroxy-2,3,5,5-tetramethyl-2-propan-2-ylimidazolidin-4-one
CID 125482444
(3S,6R)-3-[(2S)-butan-2-yl]-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
CID 162923938
3-butan-2-yl-1,4-dihydroxy-6-propan-2-ylpiperazine-2,5-dione
CID 71434541
3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione
CID 59887449
3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 103935403
1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one
CID 143012117
4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione
CID 79320664
(3R,3aR,6R,6aS)-6-hydroxy-3a-methyl-3-propan-2-yl-2,3,4,5,6,6a-hexahydropentalen-1-one
CID 102312002

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one (CID 134299206) is 1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one is CC(C)C1C(=O)N(O)C(O)C1(C)C(C)C.
What is the InChIKey of 1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one?
The InChIKey is SUWUIVHOJWMLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6(2)8-9(13)12(15)10(14)11(8,5)7(3)4/h6-8,10,14-15H,1-5H3.
What are the key properties of 1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one?
1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one has a molecular weight of 215.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-4-methyl-3,4-di(propan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 134299206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).