1,4-diethyl-1,3-diazetidin-2-one;ethane

C8H18N2O — CID 142054543

IUPAC1,4-diethyl-1,3-diazetidin-2-one;ethane
SMILESCC.CCC1NC(=O)N1CC
InChIInChI=1S/C6H12N2O.C2H6/c1-3-5-7-6(9)8(5)4-2;1-2/h5H,3-4H2,1-2H3,(H,7,9);1-2H3
InChIKeyLQTZCCCDALEUTR-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.79
Rot. Bonds2

About 1,4-diethyl-1,3-diazetidin-2-one;ethane

1,4-diethyl-1,3-diazetidin-2-one;ethane (PubChem CID 142054543) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,4-diethyl-1,3-diazetidin-2-one;ethane.

Molecular Properties

Compound Name1,4-diethyl-1,3-diazetidin-2-one;ethane
PubChem CID142054543
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1,4-diethyl-1,3-diazetidin-2-one;ethane
SMILESCC.CCC1NC(=O)N1CC
InChIInChI=1S/C6H12N2O.C2H6/c1-3-5-7-6(9)8(5)4-2;1-2/h5H,3-4H2,1-2H3,(H,7,9);1-2H3
InChIKeyLQTZCCCDALEUTR-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-1,3-diazetidin-2-one;ethane?
The IUPAC name of 1,4-diethyl-1,3-diazetidin-2-one;ethane (CID 142054543) is 1,4-diethyl-1,3-diazetidin-2-one;ethane.
What is the SMILES notation for 1,4-diethyl-1,3-diazetidin-2-one;ethane?
The canonical SMILES for 1,4-diethyl-1,3-diazetidin-2-one;ethane is CC.CCC1NC(=O)N1CC.
What is the InChIKey of 1,4-diethyl-1,3-diazetidin-2-one;ethane?
The InChIKey is LQTZCCCDALEUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H6/c1-3-5-7-6(9)8(5)4-2;1-2/h5H,3-4H2,1-2H3,(H,7,9);1-2H3.
What are the key properties of 1,4-diethyl-1,3-diazetidin-2-one;ethane?
1,4-diethyl-1,3-diazetidin-2-one;ethane has a molecular weight of 158.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-1,3-diazetidin-2-one;ethane is sourced from PubChem (CID 142054543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).