6-propyl-1H-indole-2,3-dione

C11H11NO2 — CID 68953474

IUPAC6-propyl-1H-indole-2,3-dione
SMILESCCCc1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C11H11NO2/c1-2-3-7-4-5-8-9(6-7)12-11(14)10(8)13/h4-6H,2-3H2,1H3,(H,12,13,14)
InChIKeyOASUAJCLNNGPRS-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.77
Rot. Bonds2

About 6-propyl-1H-indole-2,3-dione

6-propyl-1H-indole-2,3-dione (PubChem CID 68953474) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-propyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-propyl-1H-indole-2,3-dione
PubChem CID68953474
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6-propyl-1H-indole-2,3-dione
SMILESCCCc1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C11H11NO2/c1-2-3-7-4-5-8-9(6-7)12-11(14)10(8)13/h4-6H,2-3H2,1H3,(H,12,13,14)
InChIKeyOASUAJCLNNGPRS-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
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 6-propyl-1H-indole-2,3-dione?
The IUPAC name of 6-propyl-1H-indole-2,3-dione (CID 68953474) is 6-propyl-1H-indole-2,3-dione.
What is the SMILES notation for 6-propyl-1H-indole-2,3-dione?
The canonical SMILES for 6-propyl-1H-indole-2,3-dione is CCCc1ccc2c(c1)NC(=O)C2=O.
What is the InChIKey of 6-propyl-1H-indole-2,3-dione?
The InChIKey is OASUAJCLNNGPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-3-7-4-5-8-9(6-7)12-11(14)10(8)13/h4-6H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 6-propyl-1H-indole-2,3-dione?
6-propyl-1H-indole-2,3-dione has a molecular weight of 189.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1H-indole-2,3-dione is sourced from PubChem (CID 68953474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).