6-methylidene-1,3-diazinane-2,4-dione

C5H6N2O2 — CID 18673390

IUPAC6-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1CC(=O)NC(=O)N1
InChIInChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h1-2H2,(H2,6,7,8,9)
InChIKeyAXJPTGXTSSSRTM-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.27
Rot. Bonds

About 6-methylidene-1,3-diazinane-2,4-dione

6-methylidene-1,3-diazinane-2,4-dione (PubChem CID 18673390) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 6-methylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-methylidene-1,3-diazinane-2,4-dione
PubChem CID18673390
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name6-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1CC(=O)NC(=O)N1
InChIInChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h1-2H2,(H2,6,7,8,9)
InChIKeyAXJPTGXTSSSRTM-UHFFFAOYSA-N
XLogP-0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 6-methylidene-1,3-diazinane-2,4-dione (CID 18673390) is 6-methylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-methylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-methylidene-1,3-diazinane-2,4-dione is C=C1CC(=O)NC(=O)N1.
What is the InChIKey of 6-methylidene-1,3-diazinane-2,4-dione?
The InChIKey is AXJPTGXTSSSRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h1-2H2,(H2,6,7,8,9).
What are the key properties of 6-methylidene-1,3-diazinane-2,4-dione?
6-methylidene-1,3-diazinane-2,4-dione has a molecular weight of 126.11 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 18673390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).