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

C9H6N2O2 — CID 18870983

IUPAC1-pyridin-4-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccncc1
InChIInChI=1S/C9H6N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-6H
InChIKeyBTSOSPLPKKKCCJ-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.51
Rot. Bonds1

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

1-pyridin-4-ylpyrrole-2,5-dione (PubChem CID 18870983) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 1-pyridin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-pyridin-4-ylpyrrole-2,5-dione
PubChem CID18870983
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name1-pyridin-4-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccncc1
InChIInChI=1S/C9H6N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-6H
InChIKeyBTSOSPLPKKKCCJ-UHFFFAOYSA-N
XLogP0.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.51
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 1-pyridin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-pyridin-4-ylpyrrole-2,5-dione (CID 18870983) is 1-pyridin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-pyridin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-pyridin-4-ylpyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccncc1.
What is the InChIKey of 1-pyridin-4-ylpyrrole-2,5-dione?
The InChIKey is BTSOSPLPKKKCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-6H.
What are the key properties of 1-pyridin-4-ylpyrrole-2,5-dione?
1-pyridin-4-ylpyrrole-2,5-dione has a molecular weight of 174.16 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 18870983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).