4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one

C6H12N2O — CID 23071248

IUPAC4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one
SMILESCCC1N(C)C(=O)N1C
InChIInChI=1S/C6H12N2O/c1-4-5-7(2)6(9)8(5)3/h5H,4H2,1-3H3
InChIKeyYWUHZMKGZFKLJT-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.72
Rot. Bonds1

About 4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one

4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one (PubChem CID 23071248) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one.

Molecular Properties

Compound Name4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one
PubChem CID23071248
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one
SMILESCCC1N(C)C(=O)N1C
InChIInChI=1S/C6H12N2O/c1-4-5-7(2)6(9)8(5)3/h5H,4H2,1-3H3
InChIKeyYWUHZMKGZFKLJT-UHFFFAOYSA-N
XLogP0.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one?
The IUPAC name of 4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one (CID 23071248) is 4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one.
What is the SMILES notation for 4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one?
The canonical SMILES for 4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one is CCC1N(C)C(=O)N1C.
What is the InChIKey of 4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one?
The InChIKey is YWUHZMKGZFKLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5-7(2)6(9)8(5)3/h5H,4H2,1-3H3.
What are the key properties of 4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one?
4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one has a molecular weight of 128.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethyl-1,3-diazetidin-2-one is sourced from PubChem (CID 23071248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).