2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione

C15H12N2O2 — CID 6622518

IUPAC2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCCc1ccc(N2C(=O)c3ccncc3C2=O)cc1
InChIInChI=1S/C15H12N2O2/c1-2-10-3-5-11(6-4-10)17-14(18)12-7-8-16-9-13(12)15(17)19/h3-9H,2H2,1H3
InChIKeyBVVLTTWJDNTVTP-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.44
Rot. Bonds2

About 2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 6622518) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID6622518
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCCc1ccc(N2C(=O)c3ccncc3C2=O)cc1
InChIInChI=1S/C15H12N2O2/c1-2-10-3-5-11(6-4-10)17-14(18)12-7-8-16-9-13(12)15(17)19/h3-9H,2H2,1H3
InChIKeyBVVLTTWJDNTVTP-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 2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 6622518) is 2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione is CCc1ccc(N2C(=O)c3ccncc3C2=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is BVVLTTWJDNTVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-2-10-3-5-11(6-4-10)17-14(18)12-7-8-16-9-13(12)15(17)19/h3-9H,2H2,1H3.
What are the key properties of 2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-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 2-(4-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 6622518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).