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

C5H8N2O — CID 121369904

IUPAC6-methylidene-1,3-diazinan-4-one
SMILESC=C1CC(=O)NCN1
InChIInChI=1S/C5H8N2O/c1-4-2-5(8)7-3-6-4/h6H,1-3H2,(H,7,8)
InChIKeyNLHRCJIXANKMOG-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.43
Rot. Bonds

About 6-methylidene-1,3-diazinan-4-one

6-methylidene-1,3-diazinan-4-one (PubChem CID 121369904) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 6-methylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-methylidene-1,3-diazinan-4-one
PubChem CID121369904
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name6-methylidene-1,3-diazinan-4-one
SMILESC=C1CC(=O)NCN1
InChIInChI=1S/C5H8N2O/c1-4-2-5(8)7-3-6-4/h6H,1-3H2,(H,7,8)
InChIKeyNLHRCJIXANKMOG-UHFFFAOYSA-N
XLogP-0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.43
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-diazinan-4-one?
The IUPAC name of 6-methylidene-1,3-diazinan-4-one (CID 121369904) is 6-methylidene-1,3-diazinan-4-one.
What is the SMILES notation for 6-methylidene-1,3-diazinan-4-one?
The canonical SMILES for 6-methylidene-1,3-diazinan-4-one is C=C1CC(=O)NCN1.
What is the InChIKey of 6-methylidene-1,3-diazinan-4-one?
The InChIKey is NLHRCJIXANKMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-2-5(8)7-3-6-4/h6H,1-3H2,(H,7,8).
What are the key properties of 6-methylidene-1,3-diazinan-4-one?
6-methylidene-1,3-diazinan-4-one has a molecular weight of 112.13 g/mol, XLogP of -0.43, 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-diazinan-4-one is sourced from PubChem (CID 121369904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).