4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one

C9H13N3O — CID 139361155

IUPAC4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=N\NC)CN(C)C1=O
InChIInChI=1S/C9H13N3O/c1-4-8-7(5-11-10-2)6-12(3)9(8)13/h4-5,10H,1,6H2,2-3H3/b11-5-
InChIKeyATCFMAGULJCTAR-WZUFQYTHSA-N
MW179.22 g/mol
LogP0.15
Rot. Bonds3

About 4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one

4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one (PubChem CID 139361155) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one
PubChem CID139361155
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=N\NC)CN(C)C1=O
InChIInChI=1S/C9H13N3O/c1-4-8-7(5-11-10-2)6-12(3)9(8)13/h4-5,10H,1,6H2,2-3H3/b11-5-
InChIKeyATCFMAGULJCTAR-WZUFQYTHSA-N
XLogP0.15
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one?
The IUPAC name of 4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one (CID 139361155) is 4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one is C=CC1=C(/C=N\NC)CN(C)C1=O.
What is the InChIKey of 4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one?
The InChIKey is ATCFMAGULJCTAR-WZUFQYTHSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-8-7(5-11-10-2)6-12(3)9(8)13/h4-5,10H,1,6H2,2-3H3/b11-5-.
What are the key properties of 4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one?
4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one has a molecular weight of 179.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methyl-3-[(Z)-(methylhydrazinylidene)methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 139361155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).