1-butyl-6-methoxyindole-2,3-dione

C13H15NO3 — CID 25194457

IUPAC1-butyl-6-methoxyindole-2,3-dione
SMILESCCCCN1C(=O)C(=O)c2ccc(OC)cc21
InChIInChI=1S/C13H15NO3/c1-3-4-7-14-11-8-9(17-2)5-6-10(11)12(15)13(14)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLAASHMIASGABNN-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.02
Rot. Bonds4

About 1-butyl-6-methoxyindole-2,3-dione

1-butyl-6-methoxyindole-2,3-dione (PubChem CID 25194457) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-butyl-6-methoxyindole-2,3-dione.

Molecular Properties

Compound Name1-butyl-6-methoxyindole-2,3-dione
PubChem CID25194457
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-butyl-6-methoxyindole-2,3-dione
SMILESCCCCN1C(=O)C(=O)c2ccc(OC)cc21
InChIInChI=1S/C13H15NO3/c1-3-4-7-14-11-8-9(17-2)5-6-10(11)12(15)13(14)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLAASHMIASGABNN-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1-(4-oxohexyl)indole-2,3-dione
CID 106801732
1-(2-fluoroethyl)-6-methoxyindole-2,3-dione
CID 80695416
4-(6-methoxy-2,3-dioxoindol-1-yl)butanenitrile
CID 61356756
6-methoxy-1-(5-oxohexyl)indole-2,3-dione
CID 62023099
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione
CID 115942889
6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61356415
1-(2-ethylsulfonylethyl)-5-methoxyindole-2,3-dione
CID 61355618
5-methoxy-1-(3-methylsulfonylpropyl)indole-2,3-dione
CID 63191796
1-(cyclopentylmethyl)-6-methoxyindole-2,3-dione
CID 61357084
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61357088
5-methoxy-1-(4-oxohexyl)indole-2,3-dione
CID 106801743

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methoxyindole-2,3-dione?
The IUPAC name of 1-butyl-6-methoxyindole-2,3-dione (CID 25194457) is 1-butyl-6-methoxyindole-2,3-dione.
What is the SMILES notation for 1-butyl-6-methoxyindole-2,3-dione?
The canonical SMILES for 1-butyl-6-methoxyindole-2,3-dione is CCCCN1C(=O)C(=O)c2ccc(OC)cc21.
What is the InChIKey of 1-butyl-6-methoxyindole-2,3-dione?
The InChIKey is LAASHMIASGABNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-4-7-14-11-8-9(17-2)5-6-10(11)12(15)13(14)16/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-butyl-6-methoxyindole-2,3-dione?
1-butyl-6-methoxyindole-2,3-dione has a molecular weight of 233.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methoxyindole-2,3-dione is sourced from PubChem (CID 25194457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).