1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one

C11H21NO2 — CID 131052536

IUPAC1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one
SMILESCC(C)C(C)C(=O)N1CC(C)C(O)C1
InChIInChI=1S/C11H21NO2/c1-7(2)9(4)11(14)12-5-8(3)10(13)6-12/h7-10,13H,5-6H2,1-4H3
InChIKeyQOEPZKZAYIPLSJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.12
Rot. Bonds2

About 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one

1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one (PubChem CID 131052536) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one
PubChem CID131052536
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one
SMILESCC(C)C(C)C(=O)N1CC(C)C(O)C1
InChIInChI=1S/C11H21NO2/c1-7(2)9(4)11(14)12-5-8(3)10(13)6-12/h7-10,13H,5-6H2,1-4H3
InChIKeyQOEPZKZAYIPLSJ-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one
CID 130834947
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 131131296
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 130933822
(3S,4S)-1-(2,3-dimethylbutanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951614
4-(3,4-dimethylpyrrolidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498736
2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid
CID 131106261
1-(aziridin-1-yl)-2,3-dimethylbutan-1-one
CID 126991389
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79180939
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 102957109
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one?
The IUPAC name of 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one (CID 131052536) is 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one?
The canonical SMILES for 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one is CC(C)C(C)C(=O)N1CC(C)C(O)C1.
What is the InChIKey of 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one?
The InChIKey is QOEPZKZAYIPLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)9(4)11(14)12-5-8(3)10(13)6-12/h7-10,13H,5-6H2,1-4H3.
What are the key properties of 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one?
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one is sourced from PubChem (CID 131052536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).