1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one

C9H17NO2 — CID 131131296

IUPAC1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(C)C(O)C1
InChIInChI=1S/C9H17NO2/c1-6(2)9(12)10-4-7(3)8(11)5-10/h6-8,11H,4-5H2,1-3H3
InChIKeyVMDJCUPQKZXLDB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.48
Rot. Bonds1

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

1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one (PubChem CID 131131296) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
PubChem CID131131296
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(C)C(O)C1
InChIInChI=1S/C9H17NO2/c1-6(2)9(12)10-4-7(3)8(11)5-10/h6-8,11H,4-5H2,1-3H3
InChIKeyVMDJCUPQKZXLDB-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one
CID 131052536
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 130933822
3-amino-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylbutan-1-one
CID 130834947
2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid
CID 131106261
1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 118217486
1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 64593407
1-(3-hydroxy-5-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 130871830
1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one
CID 89177757
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
(3S,4S)-1-(2-methylpropanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951080
1-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 165172200

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one (CID 131131296) is 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CC(C)C(O)C1.
What is the InChIKey of 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one?
The InChIKey is VMDJCUPQKZXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)9(12)10-4-7(3)8(11)5-10/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one?
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.48, 1 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-methylpropan-1-one is sourced from PubChem (CID 131131296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).