1-[2-(methoxymethyl)azetidin-1-yl]ethanone

C7H13NO2 — CID 176625607

IUPAC1-[2-(methoxymethyl)azetidin-1-yl]ethanone
SMILESCOCC1CCN1C(C)=O
InChIInChI=1S/C7H13NO2/c1-6(9)8-4-3-7(8)5-10-2/h7H,3-5H2,1-2H3
InChIKeyMGQPQYREEUPOFQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds2

About 1-[2-(methoxymethyl)azetidin-1-yl]ethanone

1-[2-(methoxymethyl)azetidin-1-yl]ethanone (PubChem CID 176625607) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methoxymethyl)azetidin-1-yl]ethanone
PubChem CID176625607
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-[2-(methoxymethyl)azetidin-1-yl]ethanone
SMILESCOCC1CCN1C(C)=O
InChIInChI=1S/C7H13NO2/c1-6(9)8-4-3-7(8)5-10-2/h7H,3-5H2,1-2H3
InChIKeyMGQPQYREEUPOFQ-UHFFFAOYSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
(4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone
CID 126768552
N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide
CID 167938001
1-[(2S)-2-(2-hydroxyethoxymethyl)pyrrolidin-1-yl]ethanone
CID 96551952
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 153365620
1-ethyl-2-(methoxymethyl)azetidine
CID 123419729
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[2-(methoxymethyl)azetidin-1-yl]ethanone (CID 176625607) is 1-[2-(methoxymethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(methoxymethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(methoxymethyl)azetidin-1-yl]ethanone is COCC1CCN1C(C)=O.
What is the InChIKey of 1-[2-(methoxymethyl)azetidin-1-yl]ethanone?
The InChIKey is MGQPQYREEUPOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(9)8-4-3-7(8)5-10-2/h7H,3-5H2,1-2H3.
What are the key properties of 1-[2-(methoxymethyl)azetidin-1-yl]ethanone?
1-[2-(methoxymethyl)azetidin-1-yl]ethanone has a molecular weight of 143.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 176625607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).