1-tert-butyl-4-(ethoxymethyl)azetidin-2-one

C10H19NO2 — CID 135057164

IUPAC1-tert-butyl-4-(ethoxymethyl)azetidin-2-one
SMILESCCOCC1CC(=O)N1C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-13-7-8-6-9(12)11(8)10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyVOYBHBGQHCAZNP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds3

About 1-tert-butyl-4-(ethoxymethyl)azetidin-2-one

1-tert-butyl-4-(ethoxymethyl)azetidin-2-one (PubChem CID 135057164) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-tert-butyl-4-(ethoxymethyl)azetidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-(ethoxymethyl)azetidin-2-one
PubChem CID135057164
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-tert-butyl-4-(ethoxymethyl)azetidin-2-one
SMILESCCOCC1CC(=O)N1C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-13-7-8-6-9(12)11(8)10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyVOYBHBGQHCAZNP-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-hexyl-4-(methoxymethyl)azetidin-2-one;yttrium
CID 57859862
(1,3,3-Trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate
CID 59933630
2-(2-Oxoazetidin-1-yl)propyl butanoate
CID 70410410
(3S,4R)-3-acetyl-4-(butoxymethyl)-1-methylazetidin-2-one
CID 129068399
4-(3-Methylbutoxy)-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one
CID 169316947
Ethane;1-[2-(methoxymethyl)-4-methylazetidin-1-yl]propan-1-one
CID 176672553
1-[2-(Propan-2-yloxymethyl)azetidin-1-yl]ethanone
CID 177227638
4-Methyl-1-[2-(2-methylpropoxy)ethyl]azetidin-2-one
CID 177737511
(4R)-1-hexyl-4-(methoxymethyl)azetidin-2-one
CID 57859863
(4R)-1-butyl-4-(methoxymethyl)azetidin-2-one
CID 143326701
1-[2-(Propan-2-yloxymethyl)azetidin-1-yl]propan-1-one
CID 157854387
1-[2-(Methoxymethyl)-4-methylazetidin-1-yl]propan-1-one
CID 176672554

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(ethoxymethyl)azetidin-2-one?
The IUPAC name of 1-tert-butyl-4-(ethoxymethyl)azetidin-2-one (CID 135057164) is 1-tert-butyl-4-(ethoxymethyl)azetidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-(ethoxymethyl)azetidin-2-one?
The canonical SMILES for 1-tert-butyl-4-(ethoxymethyl)azetidin-2-one is CCOCC1CC(=O)N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-(ethoxymethyl)azetidin-2-one?
The InChIKey is VOYBHBGQHCAZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-13-7-8-6-9(12)11(8)10(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(ethoxymethyl)azetidin-2-one?
1-tert-butyl-4-(ethoxymethyl)azetidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(ethoxymethyl)azetidin-2-one is sourced from PubChem (CID 135057164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).