1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione

C10H10N2O2 — CID 130378447

IUPAC1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione
SMILESCCN1C(=O)C(=O)c2cc(C)cnc21
InChIInChI=1S/C10H10N2O2/c1-3-12-9-7(8(13)10(12)14)4-6(2)5-11-9/h4-5H,3H2,1-2H3
InChIKeyKCEWMAZQBNBUGA-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.94
Rot. Bonds1

About 1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione

1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione (PubChem CID 130378447) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione
PubChem CID130378447
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione
SMILESCCN1C(=O)C(=O)c2cc(C)cnc21
InChIInChI=1S/C10H10N2O2/c1-3-12-9-7(8(13)10(12)14)4-6(2)5-11-9/h4-5H,3H2,1-2H3
InChIKeyKCEWMAZQBNBUGA-UHFFFAOYSA-N
XLogP0.94
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione?
The IUPAC name of 1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione (CID 130378447) is 1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione.
What is the SMILES notation for 1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione?
The canonical SMILES for 1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione is CCN1C(=O)C(=O)c2cc(C)cnc21.
What is the InChIKey of 1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione?
The InChIKey is KCEWMAZQBNBUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-12-9-7(8(13)10(12)14)4-6(2)5-11-9/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione?
1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione has a molecular weight of 190.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylpyrrolo[2,3-b]pyridine-2,3-dione is sourced from PubChem (CID 130378447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).