2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one

C10H19NO — CID 127012089

IUPAC2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one
SMILESCCC(C)(C)C(=O)N1CC(C)C1
InChIInChI=1S/C10H19NO/c1-5-10(3,4)9(12)11-6-8(2)7-11/h8H,5-7H2,1-4H3
InChIKeyUNGOIYOYEUJEBP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds2

About 2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one

2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one (PubChem CID 127012089) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one
PubChem CID127012089
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one
SMILESCCC(C)(C)C(=O)N1CC(C)C1
InChIInChI=1S/C10H19NO/c1-5-10(3,4)9(12)11-6-8(2)7-11/h8H,5-7H2,1-4H3
InChIKeyUNGOIYOYEUJEBP-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylbutanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119761
1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
(3R,4R)-4-cyclopropyl-1-(2,2-dimethylbutanoyl)pyrrolidine-3-carboxylic acid
CID 120979600
(3S,4S)-1-(2,2-dimethylbutanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951156
1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 62677876
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
1-[3-(bromomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 80666826
1-(2,5-dihydropyrrol-1-yl)-2,2-dimethylbutan-1-one
CID 126494598
1-[3-(2-chloroethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 114801077
2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 44616106
1-(2,2-dimethylbutanoyl)piperidine-4-carbonitrile
CID 62897348
1-(4-bromo-3,3-dimethylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one
CID 130909142

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one?
The IUPAC name of 2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one (CID 127012089) is 2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one is CCC(C)(C)C(=O)N1CC(C)C1.
What is the InChIKey of 2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one?
The InChIKey is UNGOIYOYEUJEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-10(3,4)9(12)11-6-8(2)7-11/h8H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one?
2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one is sourced from PubChem (CID 127012089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).