6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione

C15H10N2O3 — CID 852520

IUPAC6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(CN1C(=O)c2cccnc2C1=O)c1ccccc1
InChIInChI=1S/C15H10N2O3/c18-12(10-5-2-1-3-6-10)9-17-14(19)11-7-4-8-16-13(11)15(17)20/h1-8H,9H2
InChIKeyKTGUGGSTSFKCTE-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.56
Rot. Bonds3

About 6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione

6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 852520) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID852520
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(CN1C(=O)c2cccnc2C1=O)c1ccccc1
InChIInChI=1S/C15H10N2O3/c18-12(10-5-2-1-3-6-10)9-17-14(19)11-7-4-8-16-13(11)15(17)20/h1-8H,9H2
InChIKeyKTGUGGSTSFKCTE-UHFFFAOYSA-N
XLogP1.56
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
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 6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione (CID 852520) is 6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione is O=C(CN1C(=O)c2cccnc2C1=O)c1ccccc1.
What is the InChIKey of 6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is KTGUGGSTSFKCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-12(10-5-2-1-3-6-10)9-17-14(19)11-7-4-8-16-13(11)15(17)20/h1-8H,9H2.
What are the key properties of 6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione?
6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 266.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenacylpyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 852520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).