1,4-diethyl-3-methylazetidin-2-one

C8H15NO — CID 123697315

IUPAC1,4-diethyl-3-methylazetidin-2-one
SMILESCCC1C(C)C(=O)N1CC
InChIInChI=1S/C8H15NO/c1-4-7-6(3)8(10)9(7)5-2/h6-7H,4-5H2,1-3H3
InChIKeyBBCDAFFXLUQLRF-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.26
Rot. Bonds2

About 1,4-diethyl-3-methylazetidin-2-one

1,4-diethyl-3-methylazetidin-2-one (PubChem CID 123697315) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1,4-diethyl-3-methylazetidin-2-one.

Molecular Properties

Compound Name1,4-diethyl-3-methylazetidin-2-one
PubChem CID123697315
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1,4-diethyl-3-methylazetidin-2-one
SMILESCCC1C(C)C(=O)N1CC
InChIInChI=1S/C8H15NO/c1-4-7-6(3)8(10)9(7)5-2/h6-7H,4-5H2,1-3H3
InChIKeyBBCDAFFXLUQLRF-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510189
1-ethyl-5-hydroxy-3,4,4-trimethylpyrrolidin-2-one
CID 143012117
(3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one
CID 1492482
1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole
CID 166657806
ethane;1-ethyl-3,5-dimethylpyrrolidin-2-one
CID 178164464
ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 143012237
1-ethyl-5-hydroxy-3-methylpyrrolidin-2-one
CID 146385200
(3S)-1,3,4-triethyl-1,4-diazepane-2,5-dione
CID 59872521
1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one
CID 131097871
3-ethyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83239439
1,4-diethyl-1,3-diazetidin-2-one;ethane
CID 142054543
1-ethyl-5-methylimidazolidine-2,4-dione
CID 19007953

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-3-methylazetidin-2-one?
The IUPAC name of 1,4-diethyl-3-methylazetidin-2-one (CID 123697315) is 1,4-diethyl-3-methylazetidin-2-one.
What is the SMILES notation for 1,4-diethyl-3-methylazetidin-2-one?
The canonical SMILES for 1,4-diethyl-3-methylazetidin-2-one is CCC1C(C)C(=O)N1CC.
What is the InChIKey of 1,4-diethyl-3-methylazetidin-2-one?
The InChIKey is BBCDAFFXLUQLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7-6(3)8(10)9(7)5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 1,4-diethyl-3-methylazetidin-2-one?
1,4-diethyl-3-methylazetidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-3-methylazetidin-2-one is sourced from PubChem (CID 123697315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).