6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione

C15H19NO4 — CID 115942889

IUPAC6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione
SMILESCOc1ccc2c(c1)N(CCOC(C)(C)C)C(=O)C2=O
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-8-7-16-12-9-10(19-4)5-6-11(12)13(17)14(16)18/h5-6,9H,7-8H2,1-4H3
InChIKeyMBXJYCQDXYHTRQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.04
Rot. Bonds4

About 6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione

6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione (PubChem CID 115942889) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione.

Molecular Properties

Compound Name6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione
PubChem CID115942889
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione
SMILESCOc1ccc2c(c1)N(CCOC(C)(C)C)C(=O)C2=O
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-8-7-16-12-9-10(19-4)5-6-11(12)13(17)14(16)18/h5-6,9H,7-8H2,1-4H3
InChIKeyMBXJYCQDXYHTRQ-UHFFFAOYSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione with MolForge

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Related Compounds

1-(2-fluoroethyl)-6-methoxyindole-2,3-dione
CID 80695416
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
4-(6-methoxy-2,3-dioxoindol-1-yl)butanenitrile
CID 61356756
6-methoxy-1-(5-oxohexyl)indole-2,3-dione
CID 62023099
6-methoxy-1-(4-oxohexyl)indole-2,3-dione
CID 106801732
6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61356415
1-(cyclopentylmethyl)-6-methoxyindole-2,3-dione
CID 61357084
6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356418
1-[(E)-3-chloro-2-methylprop-2-enyl]-6-methoxyindole-2,3-dione
CID 106438767
1-[2-(chloromethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
CID 103065739
1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione
CID 52579710
1-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methoxyindole-2,3-dione
CID 23363894

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione?
The IUPAC name of 6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione (CID 115942889) is 6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione.
What is the SMILES notation for 6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione?
The canonical SMILES for 6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione is COc1ccc2c(c1)N(CCOC(C)(C)C)C(=O)C2=O.
What is the InChIKey of 6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione?
The InChIKey is MBXJYCQDXYHTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,3)20-8-7-16-12-9-10(19-4)5-6-11(12)13(17)14(16)18/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione?
6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione has a molecular weight of 277.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole-2,3-dione is sourced from PubChem (CID 115942889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).