1-propan-2-ylindole-2,3-dione

C11H11NO2 — CID 2055049

IUPAC1-propan-2-ylindole-2,3-dione
SMILESCC(C)N1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-7(2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-7H,1-2H3
InChIKeyQBLFUHJXULERAQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.62
Rot. Bonds1

About 1-propan-2-ylindole-2,3-dione

1-propan-2-ylindole-2,3-dione (PubChem CID 2055049) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-propan-2-ylindole-2,3-dione.

Molecular Properties

Compound Name1-propan-2-ylindole-2,3-dione
PubChem CID2055049
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-propan-2-ylindole-2,3-dione
SMILESCC(C)N1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C11H11NO2/c1-7(2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-7H,1-2H3
InChIKeyQBLFUHJXULERAQ-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-propan-2-ylindole-2,3-dione?
The IUPAC name of 1-propan-2-ylindole-2,3-dione (CID 2055049) is 1-propan-2-ylindole-2,3-dione.
What is the SMILES notation for 1-propan-2-ylindole-2,3-dione?
The canonical SMILES for 1-propan-2-ylindole-2,3-dione is CC(C)N1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 1-propan-2-ylindole-2,3-dione?
The InChIKey is QBLFUHJXULERAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7(2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-7H,1-2H3.
What are the key properties of 1-propan-2-ylindole-2,3-dione?
1-propan-2-ylindole-2,3-dione has a molecular weight of 189.21 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylindole-2,3-dione is sourced from PubChem (CID 2055049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).