1-ethyl-2-methylidene-1,3-diazinan-4-one

C7H12N2O — CID 134556251

IUPAC1-ethyl-2-methylidene-1,3-diazinan-4-one
SMILESC=C1NC(=O)CCN1CC
InChIInChI=1S/C7H12N2O/c1-3-9-5-4-7(10)8-6(9)2/h2-5H2,1H3,(H,8,10)
InChIKeyHVLSYRRKTCNIKB-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.30
Rot. Bonds1

About 1-ethyl-2-methylidene-1,3-diazinan-4-one

1-ethyl-2-methylidene-1,3-diazinan-4-one (PubChem CID 134556251) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-ethyl-2-methylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name1-ethyl-2-methylidene-1,3-diazinan-4-one
PubChem CID134556251
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-ethyl-2-methylidene-1,3-diazinan-4-one
SMILESC=C1NC(=O)CCN1CC
InChIInChI=1S/C7H12N2O/c1-3-9-5-4-7(10)8-6(9)2/h2-5H2,1H3,(H,8,10)
InChIKeyHVLSYRRKTCNIKB-UHFFFAOYSA-N
XLogP0.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-2-methylidene-1,3-diazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylidene-1,3-diazinan-4-one?
The IUPAC name of 1-ethyl-2-methylidene-1,3-diazinan-4-one (CID 134556251) is 1-ethyl-2-methylidene-1,3-diazinan-4-one.
What is the SMILES notation for 1-ethyl-2-methylidene-1,3-diazinan-4-one?
The canonical SMILES for 1-ethyl-2-methylidene-1,3-diazinan-4-one is C=C1NC(=O)CCN1CC.
What is the InChIKey of 1-ethyl-2-methylidene-1,3-diazinan-4-one?
The InChIKey is HVLSYRRKTCNIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-9-5-4-7(10)8-6(9)2/h2-5H2,1H3,(H,8,10).
What are the key properties of 1-ethyl-2-methylidene-1,3-diazinan-4-one?
1-ethyl-2-methylidene-1,3-diazinan-4-one has a molecular weight of 140.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylidene-1,3-diazinan-4-one is sourced from PubChem (CID 134556251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).