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

C15H17NO4 — CID 106801743

IUPAC5-methoxy-1-(4-oxohexyl)indole-2,3-dione
SMILESCCC(=O)CCCN1C(=O)C(=O)c2cc(OC)ccc21
InChIInChI=1S/C15H17NO4/c1-3-10(17)5-4-8-16-13-7-6-11(20-2)9-12(13)14(18)15(16)19/h6-7,9H,3-5,8H2,1-2H3
InChIKeyCALYSIKNJFOGEG-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.98
Rot. Bonds6

About 5-methoxy-1-(4-oxohexyl)indole-2,3-dione

5-methoxy-1-(4-oxohexyl)indole-2,3-dione (PubChem CID 106801743) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-methoxy-1-(4-oxohexyl)indole-2,3-dione.

Molecular Properties

Compound Name5-methoxy-1-(4-oxohexyl)indole-2,3-dione
PubChem CID106801743
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-methoxy-1-(4-oxohexyl)indole-2,3-dione
SMILESCCC(=O)CCCN1C(=O)C(=O)c2cc(OC)ccc21
InChIInChI=1S/C15H17NO4/c1-3-10(17)5-4-8-16-13-7-6-11(20-2)9-12(13)14(18)15(16)19/h6-7,9H,3-5,8H2,1-2H3
InChIKeyCALYSIKNJFOGEG-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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-oxohexyl)indole-2,3-dione?
The IUPAC name of 5-methoxy-1-(4-oxohexyl)indole-2,3-dione (CID 106801743) is 5-methoxy-1-(4-oxohexyl)indole-2,3-dione.
What is the SMILES notation for 5-methoxy-1-(4-oxohexyl)indole-2,3-dione?
The canonical SMILES for 5-methoxy-1-(4-oxohexyl)indole-2,3-dione is CCC(=O)CCCN1C(=O)C(=O)c2cc(OC)ccc21.
What is the InChIKey of 5-methoxy-1-(4-oxohexyl)indole-2,3-dione?
The InChIKey is CALYSIKNJFOGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-10(17)5-4-8-16-13-7-6-11(20-2)9-12(13)14(18)15(16)19/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 5-methoxy-1-(4-oxohexyl)indole-2,3-dione?
5-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 5-methoxy-1-(4-oxohexyl)indole-2,3-dione is sourced from PubChem (CID 106801743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).