3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione

C8H8N2O2 — CID 142123848

IUPAC3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione
SMILES[H]/N=C/C1=C(C=C)C(=O)N(C)C1=O
InChIInChI=1S/C8H8N2O2/c1-3-5-6(4-9)8(12)10(2)7(5)11/h3-4,9H,1H2,2H3/b9-4+
InChIKeyLHZFONVVSKOLAY-RUDMXATFSA-N
MW164.16 g/mol
LogP0.12
Rot. Bonds2

About 3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione

3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione (PubChem CID 142123848) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione
PubChem CID142123848
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione
SMILES[H]/N=C/C1=C(C=C)C(=O)N(C)C1=O
InChIInChI=1S/C8H8N2O2/c1-3-5-6(4-9)8(12)10(2)7(5)11/h3-4,9H,1H2,2H3/b9-4+
InChIKeyLHZFONVVSKOLAY-RUDMXATFSA-N
XLogP0.12
TPSA61.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione (CID 142123848) is 3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione is [H]/N=C/C1=C(C=C)C(=O)N(C)C1=O.
What is the InChIKey of 3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione?
The InChIKey is LHZFONVVSKOLAY-RUDMXATFSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-3-5-6(4-9)8(12)10(2)7(5)11/h3-4,9H,1H2,2H3/b9-4+.
What are the key properties of 3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione?
3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione has a molecular weight of 164.16 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methanimidoyl-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 142123848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).