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

C9H8N2O2 — CID 14360296

IUPAC6-ethylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESCCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C9H8N2O2/c1-2-11-8(12)6-4-3-5-10-7(6)9(11)13/h3-5H,2H2,1H3
InChIKeyOLEHYSGEKSBCHH-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.70
Rot. Bonds1

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

6-ethylpyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 14360296) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 6-ethylpyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-ethylpyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID14360296
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name6-ethylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESCCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C9H8N2O2/c1-2-11-8(12)6-4-3-5-10-7(6)9(11)13/h3-5H,2H2,1H3
InChIKeyOLEHYSGEKSBCHH-UHFFFAOYSA-N
XLogP0.70
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.70
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-ethylpyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-ethylpyrrolo[3,4-b]pyridine-5,7-dione (CID 14360296) is 6-ethylpyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-ethylpyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-ethylpyrrolo[3,4-b]pyridine-5,7-dione is CCN1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-ethylpyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is OLEHYSGEKSBCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-2-11-8(12)6-4-3-5-10-7(6)9(11)13/h3-5H,2H2,1H3.
What are the key properties of 6-ethylpyrrolo[3,4-b]pyridine-5,7-dione?
6-ethylpyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 176.18 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylpyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 14360296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).