3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one

C9H17NO2 — CID 170768798

IUPAC3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)CO)C1
InChIInChI=1S/C9H17NO2/c1-7-3-4-10(5-7)9(12)8(2)6-11/h7-8,11H,3-6H2,1-2H3
InChIKeyNNKBPSAUVDZZMN-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.48
Rot. Bonds2

About 3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one

3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 170768798) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
PubChem CID170768798
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)CO)C1
InChIInChI=1S/C9H17NO2/c1-7-3-4-10(5-7)9(12)8(2)6-11/h7-8,11H,3-6H2,1-2H3
InChIKeyNNKBPSAUVDZZMN-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 121265292
2-methyl-3-(3-methylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 114898189
2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 126991157
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
2,3-dimethyl-4-(3-methylpyrrolidin-1-yl)-4-oxobutanoic acid
CID 103498005
(2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 58959887
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
CID 130747616
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
2-(3-hydroxy-2-methylpropyl)sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 111463889

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one (CID 170768798) is 3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)CO)C1.
What is the InChIKey of 3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is NNKBPSAUVDZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-3-4-10(5-7)9(12)8(2)6-11/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one?
3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 170768798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).