1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one

C11H21NO2 — CID 176761287

IUPAC1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1C(O)CCN1C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)11(14)10-9(13)5-6-12(10)8(3)4/h7-10,13H,5-6H2,1-4H3
InChIKeyFQNPZKVDDDIBGO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.06
Rot. Bonds3

About 1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one

1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one (PubChem CID 176761287) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
PubChem CID176761287
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1C(O)CCN1C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)11(14)10-9(13)5-6-12(10)8(3)4/h7-10,13H,5-6H2,1-4H3
InChIKeyFQNPZKVDDDIBGO-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(3-hydroxy-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 178176743
1-[(2S,3S)-3-methoxy-1-propan-2-ylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 171576108
1,1,1,3,3,3-hexafluoropropan-2-yl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate
CID 174164379
(2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol
CID 131048189
(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol
CID 146572367
1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid
CID 89128848
(2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid
CID 124744772
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
2-methyl-1-(1-propan-2-yl-2,3,3a,4,7,7a-hexahydroindol-3-yl)propan-1-one
CID 67563050
(2S)-1-(2-carboxypropanoyl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 22799644
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83483363

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one (CID 176761287) is 1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one is CC(C)C(=O)C1C(O)CCN1C(C)C.
What is the InChIKey of 1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
The InChIKey is FQNPZKVDDDIBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)11(14)10-9(13)5-6-12(10)8(3)4/h7-10,13H,5-6H2,1-4H3.
What are the key properties of 1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 176761287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).