6-methoxy-1-(4-oxohexyl)indole-2,3-dione

C15H17NO4 — CID 106801732

IUPAC6-methoxy-1-(4-oxohexyl)indole-2,3-dione
SMILESCCC(=O)CCCN1C(=O)C(=O)c2ccc(OC)cc21
InChIInChI=1S/C15H17NO4/c1-3-10(17)5-4-8-16-13-9-11(20-2)6-7-12(13)14(18)15(16)19/h6-7,9H,3-5,8H2,1-2H3
InChIKeyAXGNBDMRIYAQJC-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.98
Rot. Bonds6

About 6-methoxy-1-(4-oxohexyl)indole-2,3-dione

6-methoxy-1-(4-oxohexyl)indole-2,3-dione (PubChem CID 106801732) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 6-methoxy-1-(4-oxohexyl)indole-2,3-dione.

Molecular Properties

Compound Name6-methoxy-1-(4-oxohexyl)indole-2,3-dione
PubChem CID106801732
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name6-methoxy-1-(4-oxohexyl)indole-2,3-dione
SMILESCCC(=O)CCCN1C(=O)C(=O)c2ccc(OC)cc21
InChIInChI=1S/C15H17NO4/c1-3-10(17)5-4-8-16-13-9-11(20-2)6-7-12(13)14(18)15(16)19/h6-7,9H,3-5,8H2,1-2H3
InChIKeyAXGNBDMRIYAQJC-UHFFFAOYSA-N
XLogP1.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1-(4-oxohexyl)indole-2,3-dione
CID 106801743
6-methoxy-1-(5-oxohexyl)indole-2,3-dione
CID 62023099
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
1-(2-fluoroethyl)-6-methoxyindole-2,3-dione
CID 80695416
4-(6-methoxy-2,3-dioxoindol-1-yl)butanenitrile
CID 61356756
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
methyl 4-(6-chloro-2,3-dioxoindol-1-yl)butanoate
CID 55138801
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61357088
1-[2-(chloromethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
CID 103065739
1-[(E)-3-chloro-2-methylprop-2-enyl]-6-methoxyindole-2,3-dione
CID 106438767

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-oxohexyl)indole-2,3-dione?
The IUPAC name of 6-methoxy-1-(4-oxohexyl)indole-2,3-dione (CID 106801732) is 6-methoxy-1-(4-oxohexyl)indole-2,3-dione.
What is the SMILES notation for 6-methoxy-1-(4-oxohexyl)indole-2,3-dione?
The canonical SMILES for 6-methoxy-1-(4-oxohexyl)indole-2,3-dione is CCC(=O)CCCN1C(=O)C(=O)c2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-1-(4-oxohexyl)indole-2,3-dione?
The InChIKey is AXGNBDMRIYAQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-10(17)5-4-8-16-13-9-11(20-2)6-7-12(13)14(18)15(16)19/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 6-methoxy-1-(4-oxohexyl)indole-2,3-dione?
6-methoxy-1-(4-oxohexyl)indole-2,3-dione has a molecular weight of 275.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-oxohexyl)indole-2,3-dione is sourced from PubChem (CID 106801732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).