2-ethenyl-6-methyl-1,3-diazinan-4-one

C7H12N2O — CID 76820095

IUPAC2-ethenyl-6-methyl-1,3-diazinan-4-one
SMILESC=CC1NC(=O)CC(C)N1
InChIInChI=1S/C7H12N2O/c1-3-6-8-5(2)4-7(10)9-6/h3,5-6,8H,1,4H2,2H3,(H,9,10)
InChIKeyUMNWZXAKYGXTRK-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.00
Rot. Bonds1

About 2-ethenyl-6-methyl-1,3-diazinan-4-one

2-ethenyl-6-methyl-1,3-diazinan-4-one (PubChem CID 76820095) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-ethenyl-6-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-ethenyl-6-methyl-1,3-diazinan-4-one
PubChem CID76820095
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-ethenyl-6-methyl-1,3-diazinan-4-one
SMILESC=CC1NC(=O)CC(C)N1
InChIInChI=1S/C7H12N2O/c1-3-6-8-5(2)4-7(10)9-6/h3,5-6,8H,1,4H2,2H3,(H,9,10)
InChIKeyUMNWZXAKYGXTRK-UHFFFAOYSA-N
XLogP-0.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methyl-1,3-diazinan-4-one?
The IUPAC name of 2-ethenyl-6-methyl-1,3-diazinan-4-one (CID 76820095) is 2-ethenyl-6-methyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-ethenyl-6-methyl-1,3-diazinan-4-one?
The canonical SMILES for 2-ethenyl-6-methyl-1,3-diazinan-4-one is C=CC1NC(=O)CC(C)N1.
What is the InChIKey of 2-ethenyl-6-methyl-1,3-diazinan-4-one?
The InChIKey is UMNWZXAKYGXTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6-8-5(2)4-7(10)9-6/h3,5-6,8H,1,4H2,2H3,(H,9,10).
What are the key properties of 2-ethenyl-6-methyl-1,3-diazinan-4-one?
2-ethenyl-6-methyl-1,3-diazinan-4-one has a molecular weight of 140.19 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 76820095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).