1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one

C10H19NO2 — CID 130711049

IUPAC1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one
SMILESCCC(O)C(=O)N1CC(C)CC1C
InChIInChI=1S/C10H19NO2/c1-4-9(12)10(13)11-6-7(2)5-8(11)3/h7-9,12H,4-6H2,1-3H3
InChIKeyWVCVIEMEPKUNDC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.01
Rot. Bonds2

About 1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one

1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one (PubChem CID 130711049) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one
PubChem CID130711049
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one
SMILESCCC(O)C(=O)N1CC(C)CC1C
InChIInChI=1S/C10H19NO2/c1-4-9(12)10(13)11-6-7(2)5-8(11)3/h7-9,12H,4-6H2,1-3H3
InChIKeyWVCVIEMEPKUNDC-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-(4-hydroxy-2-methylpyrrolidin-1-yl)butan-1-one
CID 130684634
2-amino-1-(2,4-dimethylpyrrolidin-1-yl)butan-1-one
CID 115734693
(2S,4R)-2,4-dimethylpyrrolidine-1-carbonyl chloride
CID 53471285
2-hydroxy-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 126991157
CID 23519376
CID 23519376
1-(2,4-dimethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 115734691
2,4-dimethyl-1-prop-1-en-2-ylpyrrolidine;ethane;3-methylpentane
CID 177053875
(2S)-1-(2-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 131497998
(2S)-2-amino-1-(2,4-dimethylpiperidin-1-yl)butan-1-one
CID 79023304
1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103733960
3-(2,4-dimethylpyrrolidin-1-yl)-2,3-dioxopropanoic acid
CID 130878668
(2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol
CID 130161396

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one?
The IUPAC name of 1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one (CID 130711049) is 1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one.
What is the SMILES notation for 1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one?
The canonical SMILES for 1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one is CCC(O)C(=O)N1CC(C)CC1C.
What is the InChIKey of 1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one?
The InChIKey is WVCVIEMEPKUNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9(12)10(13)11-6-7(2)5-8(11)3/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one?
1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one is sourced from PubChem (CID 130711049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).