4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one

C7H9N3O — CID 143293680

IUPAC4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one
SMILESC=Cc1c(N=C)[nH]c(=O)n1C
InChIInChI=1S/C7H9N3O/c1-4-5-6(8-2)9-7(11)10(5)3/h4H,1-2H2,3H3,(H,9,11)
InChIKeyXIJOHQGPPYIKAD-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.69
Rot. Bonds2

About 4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one

4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one (PubChem CID 143293680) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one.

Molecular Properties

Compound Name4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one
PubChem CID143293680
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one
SMILESC=Cc1c(N=C)[nH]c(=O)n1C
InChIInChI=1S/C7H9N3O/c1-4-5-6(8-2)9-7(11)10(5)3/h4H,1-2H2,3H3,(H,9,11)
InChIKeyXIJOHQGPPYIKAD-UHFFFAOYSA-N
XLogP0.69
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one?
The IUPAC name of 4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one (CID 143293680) is 4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one.
What is the SMILES notation for 4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one?
The canonical SMILES for 4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one is C=Cc1c(N=C)[nH]c(=O)n1C.
What is the InChIKey of 4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one?
The InChIKey is XIJOHQGPPYIKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-4-5-6(8-2)9-7(11)10(5)3/h4H,1-2H2,3H3,(H,9,11).
What are the key properties of 4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one?
4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one has a molecular weight of 151.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one is sourced from PubChem (CID 143293680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).