1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one

C10H19NO2 — CID 104937026

IUPAC1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC1(C)CCN(C(=O)C(C)(C)O)C1
InChIInChI=1S/C10H19NO2/c1-9(2)5-6-11(7-9)8(12)10(3,4)13/h13H,5-7H2,1-4H3
InChIKeyIVERPFOSEVDQAP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds1

About 1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one

1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 104937026) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID104937026
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC1(C)CCN(C(=O)C(C)(C)O)C1
InChIInChI=1S/C10H19NO2/c1-9(2)5-6-11(7-9)8(12)10(3,4)13/h13H,5-7H2,1-4H3
InChIKeyIVERPFOSEVDQAP-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 126993688
2-bromo-1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 114328908
1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601
1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one
CID 118447947
2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
CID 79036668
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 79811127
3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115428947
1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62931262
1-(3,3-dimethylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107032417
2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 59855855

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one (CID 104937026) is 1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one is CC1(C)CCN(C(=O)C(C)(C)O)C1.
What is the InChIKey of 1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is IVERPFOSEVDQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)5-6-11(7-9)8(12)10(3,4)13/h13H,5-7H2,1-4H3.
What are the key properties of 1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 104937026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).