3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione

C10H8N2O2 — CID 155351156

IUPAC3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(c2ccncc2)C1=O
InChIInChI=1S/C10H8N2O2/c1-7-6-9(13)12(10(7)14)8-2-4-11-5-3-8/h2-5H,1,6H2
InChIKeyYSJQLELVJBMOAM-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.90
Rot. Bonds1

About 3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione

3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione (PubChem CID 155351156) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione
PubChem CID155351156
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(c2ccncc2)C1=O
InChIInChI=1S/C10H8N2O2/c1-7-6-9(13)12(10(7)14)8-2-4-11-5-3-8/h2-5H,1,6H2
InChIKeyYSJQLELVJBMOAM-UHFFFAOYSA-N
XLogP0.90
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione (CID 155351156) is 3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione is C=C1CC(=O)N(c2ccncc2)C1=O.
What is the InChIKey of 3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione?
The InChIKey is YSJQLELVJBMOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7-6-9(13)12(10(7)14)8-2-4-11-5-3-8/h2-5H,1,6H2.
What are the key properties of 3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione?
3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione has a molecular weight of 188.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 155351156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).