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

C7H12N2O — CID 153104760

IUPAC2,2-dimethyl-6-methylidene-1,3-diazinan-4-one
SMILESC=C1CC(=O)NC(C)(C)N1
InChIInChI=1S/C7H12N2O/c1-5-4-6(10)9-7(2,3)8-5/h8H,1,4H2,2-3H3,(H,9,10)
InChIKeyVRTSUUKLVNOTLB-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.35
Rot. Bonds

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

2,2-dimethyl-6-methylidene-1,3-diazinan-4-one (PubChem CID 153104760) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,2-dimethyl-6-methylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6-methylidene-1,3-diazinan-4-one
PubChem CID153104760
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,2-dimethyl-6-methylidene-1,3-diazinan-4-one
SMILESC=C1CC(=O)NC(C)(C)N1
InChIInChI=1S/C7H12N2O/c1-5-4-6(10)9-7(2,3)8-5/h8H,1,4H2,2-3H3,(H,9,10)
InChIKeyVRTSUUKLVNOTLB-UHFFFAOYSA-N
XLogP0.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyleneuracil
CID 18673390
5-Fluoro-6-methylidene-1,3-diazinane-2,4-dione
CID 130188362
2,6-Dimethylidene-1,3-diazinan-4-one
CID 59889553
5-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 60079342
6-Methylidene-1,3-diazinan-4-one
CID 121369904
Ethane;5-methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143251897
1-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143328426
1-Methyl-6-methylidene-1,3-diazinan-4-one
CID 143917902
2,2-Dimethylpropane;6-methylidene-1,3-diazinane-2,4-dione
CID 159081500
6-Ethylidene-1,3-diazinane-2,4-dione
CID 173536296
3-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 160554599

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-methylidene-1,3-diazinan-4-one?
The IUPAC name of 2,2-dimethyl-6-methylidene-1,3-diazinan-4-one (CID 153104760) is 2,2-dimethyl-6-methylidene-1,3-diazinan-4-one.
What is the SMILES notation for 2,2-dimethyl-6-methylidene-1,3-diazinan-4-one?
The canonical SMILES for 2,2-dimethyl-6-methylidene-1,3-diazinan-4-one is C=C1CC(=O)NC(C)(C)N1.
What is the InChIKey of 2,2-dimethyl-6-methylidene-1,3-diazinan-4-one?
The InChIKey is VRTSUUKLVNOTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-4-6(10)9-7(2,3)8-5/h8H,1,4H2,2-3H3,(H,9,10).
What are the key properties of 2,2-dimethyl-6-methylidene-1,3-diazinan-4-one?
2,2-dimethyl-6-methylidene-1,3-diazinan-4-one has a molecular weight of 140.19 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-methylidene-1,3-diazinan-4-one is sourced from PubChem (CID 153104760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).