2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione

C15H10N2O4 — CID 23906855

IUPAC2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione
SMILESCC(=O)N1C(=O)c2ccc(-c3cc(=O)cc[nH]3)cc2C1=O
InChIInChI=1S/C15H10N2O4/c1-8(18)17-14(20)11-3-2-9(6-12(11)15(17)21)13-7-10(19)4-5-16-13/h2-7H,1H3,(H,16,19)
InChIKeyGKYBGEIJXIHYJM-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.18
Rot. Bonds1

About 2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione

2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione (PubChem CID 23906855) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione
PubChem CID23906855
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione
SMILESCC(=O)N1C(=O)c2ccc(-c3cc(=O)cc[nH]3)cc2C1=O
InChIInChI=1S/C15H10N2O4/c1-8(18)17-14(20)11-3-2-9(6-12(11)15(17)21)13-7-10(19)4-5-16-13/h2-7H,1H3,(H,16,19)
InChIKeyGKYBGEIJXIHYJM-UHFFFAOYSA-N
XLogP1.18
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione (CID 23906855) is 2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione is CC(=O)N1C(=O)c2ccc(-c3cc(=O)cc[nH]3)cc2C1=O.
What is the InChIKey of 2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione?
The InChIKey is GKYBGEIJXIHYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c1-8(18)17-14(20)11-3-2-9(6-12(11)15(17)21)13-7-10(19)4-5-16-13/h2-7H,1H3,(H,16,19).
What are the key properties of 2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione?
2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione has a molecular weight of 282.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5-(4-oxo-1H-pyridin-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 23906855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).