3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione

C11H10N2O2 — CID 652349

IUPAC3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ccccn2)C1=O
InChIInChI=1S/C11H10N2O2/c1-7-8(2)11(15)13(10(7)14)9-5-3-4-6-12-9/h3-6H,1-2H3
InChIKeyXRBVGKIFJFZOML-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.29
Rot. Bonds1

About 3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione

3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione (PubChem CID 652349) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione
PubChem CID652349
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ccccn2)C1=O
InChIInChI=1S/C11H10N2O2/c1-7-8(2)11(15)13(10(7)14)9-5-3-4-6-12-9/h3-6H,1-2H3
InChIKeyXRBVGKIFJFZOML-UHFFFAOYSA-N
XLogP1.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione (CID 652349) is 3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione is CC1=C(C)C(=O)N(c2ccccn2)C1=O.
What is the InChIKey of 3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione?
The InChIKey is XRBVGKIFJFZOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-8(2)11(15)13(10(7)14)9-5-3-4-6-12-9/h3-6H,1-2H3.
What are the key properties of 3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione?
3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione has a molecular weight of 202.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-pyridin-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 652349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).