1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one

C10H19NO2 — CID 118084446

IUPAC1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCOC1CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-10(2,3)5-9(12)11-6-8(7-11)13-4/h8H,5-7H2,1-4H3
InChIKeyAPVGTSXHRHVQFU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds2

About 1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one

1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 118084446) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID118084446
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCOC1CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-10(2,3)5-9(12)11-6-8(7-11)13-4/h8H,5-7H2,1-4H3
InChIKeyAPVGTSXHRHVQFU-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3,3-dimethylbutan-1-one
CID 66211596
4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279
N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide
CID 155765572
3,3-dimethyl-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-1-one;methyl formate
CID 170632062
(3S,4S)-1-(3,3-dimethylbutanoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984219
1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297955
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 108569704
3,3-dimethyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-1-one
CID 70966601
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
methyl 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817886

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one (CID 118084446) is 1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one is COC1CN(C(=O)CC(C)(C)C)C1.
What is the InChIKey of 1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is APVGTSXHRHVQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)5-9(12)11-6-8(7-11)13-4/h8H,5-7H2,1-4H3.
What are the key properties of 1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one?
1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyazetidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 118084446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).