6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione

C15H12N2O2 — CID 2961649

IUPAC6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(c1ccccc1)N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C15H12N2O2/c1-10(11-6-3-2-4-7-11)17-14(18)12-8-5-9-16-13(12)15(17)19/h2-10H,1H3
InChIKeyYCRCAPRXPJNBBR-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.44
Rot. Bonds2

About 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 2961649) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID2961649
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(c1ccccc1)N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C15H12N2O2/c1-10(11-6-3-2-4-7-11)17-14(18)12-8-5-9-16-13(12)15(17)19/h2-10H,1H3
InChIKeyYCRCAPRXPJNBBR-UHFFFAOYSA-N
XLogP2.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.44
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 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 2961649) is 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione is CC(c1ccccc1)N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is YCRCAPRXPJNBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10(11-6-3-2-4-7-11)17-14(18)12-8-5-9-16-13(12)15(17)19/h2-10H,1H3.
What are the key properties of 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 252.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 2961649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).