1-methyl-4,5-dimethylidene-1,3-diazinan-2-one

C7H10N2O — CID 144546085

IUPAC1-methyl-4,5-dimethylidene-1,3-diazinan-2-one
SMILESC=C1CN(C)C(=O)NC1=C
InChIInChI=1S/C7H10N2O/c1-5-4-9(3)7(10)8-6(5)2/h1-2,4H2,3H3,(H,8,10)
InChIKeyXBXXQRUDNXUZTR-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.71
Rot. Bonds

About 1-methyl-4,5-dimethylidene-1,3-diazinan-2-one

1-methyl-4,5-dimethylidene-1,3-diazinan-2-one (PubChem CID 144546085) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-methyl-4,5-dimethylidene-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-methyl-4,5-dimethylidene-1,3-diazinan-2-one
PubChem CID144546085
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-methyl-4,5-dimethylidene-1,3-diazinan-2-one
SMILESC=C1CN(C)C(=O)NC1=C
InChIInChI=1S/C7H10N2O/c1-5-4-9(3)7(10)8-6(5)2/h1-2,4H2,3H3,(H,8,10)
InChIKeyXBXXQRUDNXUZTR-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5-dimethylidene-1,3-diazinan-2-one?
The IUPAC name of 1-methyl-4,5-dimethylidene-1,3-diazinan-2-one (CID 144546085) is 1-methyl-4,5-dimethylidene-1,3-diazinan-2-one.
What is the SMILES notation for 1-methyl-4,5-dimethylidene-1,3-diazinan-2-one?
The canonical SMILES for 1-methyl-4,5-dimethylidene-1,3-diazinan-2-one is C=C1CN(C)C(=O)NC1=C.
What is the InChIKey of 1-methyl-4,5-dimethylidene-1,3-diazinan-2-one?
The InChIKey is XBXXQRUDNXUZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-4-9(3)7(10)8-6(5)2/h1-2,4H2,3H3,(H,8,10).
What are the key properties of 1-methyl-4,5-dimethylidene-1,3-diazinan-2-one?
1-methyl-4,5-dimethylidene-1,3-diazinan-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-dimethylidene-1,3-diazinan-2-one is sourced from PubChem (CID 144546085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).