1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one

C10H19NO2 — CID 131181729

IUPAC1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCC1(O)CN(CC(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-9(2,3)8(12)5-11-6-10(4,13)7-11/h13H,5-7H2,1-4H3
InChIKeyLBSYWLUJPFXJGW-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.67
Rot. Bonds2

About 1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one

1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one (PubChem CID 131181729) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one
PubChem CID131181729
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCC1(O)CN(CC(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-9(2,3)8(12)5-11-6-10(4,13)7-11/h13H,5-7H2,1-4H3
InChIKeyLBSYWLUJPFXJGW-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one
CID 130847612
1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one
CID 168726993
methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate
CID 79620337
1-(3-aminoazetidin-1-yl)-3,3-dimethylbutan-2-one
CID 121200108
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one
CID 43219275
1-(2-methoxy-2-methylpropyl)-3-methylazetidin-3-ol
CID 131137557
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one
CID 62205767
3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one
CID 110709718
[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid
CID 22313268
3,3-dimethyl-1-(4-methylazepan-1-yl)butan-2-one
CID 63622621
(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid
CID 129493333

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one (CID 131181729) is 1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one is CC1(O)CN(CC(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one?
The InChIKey is LBSYWLUJPFXJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,3)8(12)5-11-6-10(4,13)7-11/h13H,5-7H2,1-4H3.
What are the key properties of 1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one?
1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylazetidin-1-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 131181729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).