3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one

C10H19NO2 — CID 130826237

IUPAC3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one
SMILESCCC1CN(C(C)C(C)=O)CC1O
InChIInChI=1S/C10H19NO2/c1-4-9-5-11(6-10(9)13)7(2)8(3)12/h7,9-10,13H,4-6H2,1-3H3
InChIKeyDOXVXFPIXQNLSO-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.67
Rot. Bonds3

About 3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one

3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one (PubChem CID 130826237) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one.

Molecular Properties

Compound Name3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one
PubChem CID130826237
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one
SMILESCCC1CN(C(C)C(C)=O)CC1O
InChIInChI=1S/C10H19NO2/c1-4-9-5-11(6-10(9)13)7(2)8(3)12/h7,9-10,13H,4-6H2,1-3H3
InChIKeyDOXVXFPIXQNLSO-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylpyrrolidin-1-yl)butan-2-one
CID 79189312
2-(3-ethyl-4-hydroxypiperidin-1-yl)-N,N-dimethylpropanamide
CID 114510876
2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 131098043
4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one
CID 106670355
3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol
CID 126999297
(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid
CID 129445747
3-(3-azabicyclo[3.3.1]nonan-3-yl)butan-2-one
CID 130479749
(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol
CID 158126108
ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butanoate
CID 79411173
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide
CID 106672398
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
1-pentan-3-ylpyrrolidine-3,4-diol
CID 106672556

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one?
The IUPAC name of 3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one (CID 130826237) is 3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one.
What is the SMILES notation for 3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one?
The canonical SMILES for 3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one is CCC1CN(C(C)C(C)=O)CC1O.
What is the InChIKey of 3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one?
The InChIKey is DOXVXFPIXQNLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9-5-11(6-10(9)13)7(2)8(3)12/h7,9-10,13H,4-6H2,1-3H3.
What are the key properties of 3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one?
3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-hydroxypyrrolidin-1-yl)butan-2-one is sourced from PubChem (CID 130826237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).