1-propanoylindole-2,3-dione

C11H9NO3 — CID 589576

IUPAC1-propanoylindole-2,3-dione
SMILESCCC(=O)N1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C11H9NO3/c1-2-9(13)12-8-6-4-3-5-7(8)10(14)11(12)15/h3-6H,2H2,1H3
InChIKeyIHNYAHBLLCMRCD-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.15
Rot. Bonds1

About 1-propanoylindole-2,3-dione

1-propanoylindole-2,3-dione (PubChem CID 589576) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-propanoylindole-2,3-dione.

Molecular Properties

Compound Name1-propanoylindole-2,3-dione
PubChem CID589576
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name1-propanoylindole-2,3-dione
SMILESCCC(=O)N1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C11H9NO3/c1-2-9(13)12-8-6-4-3-5-7(8)10(14)11(12)15/h3-6H,2H2,1H3
InChIKeyIHNYAHBLLCMRCD-UHFFFAOYSA-N
XLogP1.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.15
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-propanoylindole-2,3-dione?
The IUPAC name of 1-propanoylindole-2,3-dione (CID 589576) is 1-propanoylindole-2,3-dione.
What is the SMILES notation for 1-propanoylindole-2,3-dione?
The canonical SMILES for 1-propanoylindole-2,3-dione is CCC(=O)N1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 1-propanoylindole-2,3-dione?
The InChIKey is IHNYAHBLLCMRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-2-9(13)12-8-6-4-3-5-7(8)10(14)11(12)15/h3-6H,2H2,1H3.
What are the key properties of 1-propanoylindole-2,3-dione?
1-propanoylindole-2,3-dione has a molecular weight of 203.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoylindole-2,3-dione is sourced from PubChem (CID 589576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).