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

C5H8N2O — CID 70217417

IUPAC4-methylidene-1,3-diazinan-2-one
SMILESC=C1CCNC(=O)N1
InChIInChI=1S/C5H8N2O/c1-4-2-3-6-5(8)7-4/h1-3H2,(H2,6,7,8)
InChIKeySJIUWGCDZHTHTJ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.20
Rot. Bonds

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

4-methylidene-1,3-diazinan-2-one (PubChem CID 70217417) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-methylidene-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-methylidene-1,3-diazinan-2-one
PubChem CID70217417
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name4-methylidene-1,3-diazinan-2-one
SMILESC=C1CCNC(=O)N1
InChIInChI=1S/C5H8N2O/c1-4-2-3-6-5(8)7-4/h1-3H2,(H2,6,7,8)
InChIKeySJIUWGCDZHTHTJ-UHFFFAOYSA-N
XLogP0.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-methylidene-1,3-diazinan-2-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 4-methylidene-1,3-diazinan-2-one?
The IUPAC name of 4-methylidene-1,3-diazinan-2-one (CID 70217417) is 4-methylidene-1,3-diazinan-2-one.
What is the SMILES notation for 4-methylidene-1,3-diazinan-2-one?
The canonical SMILES for 4-methylidene-1,3-diazinan-2-one is C=C1CCNC(=O)N1.
What is the InChIKey of 4-methylidene-1,3-diazinan-2-one?
The InChIKey is SJIUWGCDZHTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-2-3-6-5(8)7-4/h1-3H2,(H2,6,7,8).
What are the key properties of 4-methylidene-1,3-diazinan-2-one?
4-methylidene-1,3-diazinan-2-one has a molecular weight of 112.13 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,3-diazinan-2-one is sourced from PubChem (CID 70217417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).