3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one

C8H10N2O — CID 153329867

IUPAC3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one
SMILES[H]/N=C/C1=C(C=C)CN(C)C1=O
InChIInChI=1S/C8H10N2O/c1-3-6-5-10(2)8(11)7(6)4-9/h3-4,9H,1,5H2,2H3/b9-4+
InChIKeyUXCXINWTCCYNTR-RUDMXATFSA-N
MW150.18 g/mol
LogP0.59
Rot. Bonds2

About 3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one

3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one (PubChem CID 153329867) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one
PubChem CID153329867
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one
SMILES[H]/N=C/C1=C(C=C)CN(C)C1=O
InChIInChI=1S/C8H10N2O/c1-3-6-5-10(2)8(11)7(6)4-9/h3-4,9H,1,5H2,2H3/b9-4+
InChIKeyUXCXINWTCCYNTR-RUDMXATFSA-N
XLogP0.59
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one (CID 153329867) is 3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one is [H]/N=C/C1=C(C=C)CN(C)C1=O.
What is the InChIKey of 3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one?
The InChIKey is UXCXINWTCCYNTR-RUDMXATFSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-6-5-10(2)8(11)7(6)4-9/h3-4,9H,1,5H2,2H3/b9-4+.
What are the key properties of 3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one?
3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one has a molecular weight of 150.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methanimidoyl-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 153329867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).