1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one

C8H12N2O — CID 130281940

IUPAC1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one
SMILESC=C1CC(=O)N(C)C(=C)N1C
InChIInChI=1S/C8H12N2O/c1-6-5-8(11)10(4)7(2)9(6)3/h1-2,5H2,3-4H3
InChIKeyQLCIIVFYOMSCHV-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.77
Rot. Bonds

About 1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one

1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one (PubChem CID 130281940) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one
PubChem CID130281940
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one
SMILESC=C1CC(=O)N(C)C(=C)N1C
InChIInChI=1S/C8H12N2O/c1-6-5-8(11)10(4)7(2)9(6)3/h1-2,5H2,3-4H3
InChIKeyQLCIIVFYOMSCHV-UHFFFAOYSA-N
XLogP0.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one?
The IUPAC name of 1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one (CID 130281940) is 1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one.
What is the SMILES notation for 1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one?
The canonical SMILES for 1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one is C=C1CC(=O)N(C)C(=C)N1C.
What is the InChIKey of 1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one?
The InChIKey is QLCIIVFYOMSCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-8(11)10(4)7(2)9(6)3/h1-2,5H2,3-4H3.
What are the key properties of 1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one?
1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one is sourced from PubChem (CID 130281940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).