2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one

C9H17NO2 — CID 126991157

IUPAC2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one
SMILESCCC(O)C(=O)N1CCC(C)C1
InChIInChI=1S/C9H17NO2/c1-3-8(11)9(12)10-5-4-7(2)6-10/h7-8,11H,3-6H2,1-2H3
InChIKeyQAMCNZLNGOPADF-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.63
Rot. Bonds2

About 2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one

2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 126991157) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one
PubChem CID126991157
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one
SMILESCCC(O)C(=O)N1CCC(C)C1
InChIInChI=1S/C9H17NO2/c1-3-8(11)9(12)10-5-4-7(2)6-10/h7-8,11H,3-6H2,1-2H3
InChIKeyQAMCNZLNGOPADF-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 58959887
3-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 170768798
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
2-methyl-3-(3-methylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 114898189
1-(3-methylpiperidin-1-yl)-2-sulfanylbutan-1-one
CID 126990175
2,3-dimethyl-4-(3-methylpyrrolidin-1-yl)-4-oxobutanoic acid
CID 103498005
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
(2S)-2-chloro-1-(4-methylpiperidin-1-yl)butan-1-one
CID 129497057
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192
1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one
CID 130711049
butan-2-yl 4-methylpiperidine-1-carboxylate
CID 58345850

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one (CID 126991157) is 2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one is CCC(O)C(=O)N1CCC(C)C1.
What is the InChIKey of 2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is QAMCNZLNGOPADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-8(11)9(12)10-5-4-7(2)6-10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one?
2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 126991157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).