5-ethyldiazinan-3-one

C6H12N2O — CID 71303752

IUPAC5-ethyldiazinan-3-one
SMILESCCC1CNNC(=O)C1
InChIInChI=1S/C6H12N2O/c1-2-5-3-6(9)8-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyIHNHEOFJKSTVGA-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.04
Rot. Bonds1

About 5-ethyldiazinan-3-one

5-ethyldiazinan-3-one (PubChem CID 71303752) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 5-ethyldiazinan-3-one.

Molecular Properties

Compound Name5-ethyldiazinan-3-one
PubChem CID71303752
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name5-ethyldiazinan-3-one
SMILESCCC1CNNC(=O)C1
InChIInChI=1S/C6H12N2O/c1-2-5-3-6(9)8-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyIHNHEOFJKSTVGA-UHFFFAOYSA-N
XLogP0.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyldiazinan-3-one?
The IUPAC name of 5-ethyldiazinan-3-one (CID 71303752) is 5-ethyldiazinan-3-one.
What is the SMILES notation for 5-ethyldiazinan-3-one?
The canonical SMILES for 5-ethyldiazinan-3-one is CCC1CNNC(=O)C1.
What is the InChIKey of 5-ethyldiazinan-3-one?
The InChIKey is IHNHEOFJKSTVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-5-3-6(9)8-7-4-5/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of 5-ethyldiazinan-3-one?
5-ethyldiazinan-3-one has a molecular weight of 128.18 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyldiazinan-3-one is sourced from PubChem (CID 71303752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).