6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione

C13H13NO3 — CID 61356415

IUPAC6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
SMILESC=C(C)CN1C(=O)C(=O)c2ccc(OC)cc21
InChIInChI=1S/C13H13NO3/c1-8(2)7-14-11-6-9(17-3)4-5-10(11)12(15)13(14)16/h4-6H,1,7H2,2-3H3
InChIKeyWHVGFXIIMIXMIG-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.80
Rot. Bonds3

About 6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione

6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione (PubChem CID 61356415) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione.

Molecular Properties

Compound Name6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
PubChem CID61356415
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
SMILESC=C(C)CN1C(=O)C(=O)c2ccc(OC)cc21
InChIInChI=1S/C13H13NO3/c1-8(2)7-14-11-6-9(17-3)4-5-10(11)12(15)13(14)16/h4-6H,1,7H2,2-3H3
InChIKeyWHVGFXIIMIXMIG-UHFFFAOYSA-N
XLogP1.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione?
The IUPAC name of 6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione (CID 61356415) is 6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione.
What is the SMILES notation for 6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione?
The canonical SMILES for 6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione is C=C(C)CN1C(=O)C(=O)c2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione?
The InChIKey is WHVGFXIIMIXMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8(2)7-14-11-6-9(17-3)4-5-10(11)12(15)13(14)16/h4-6H,1,7H2,2-3H3.
What are the key properties of 6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione?
6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione has a molecular weight of 231.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione is sourced from PubChem (CID 61356415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).