7-methyl-1-(2-phenoxyethyl)indole-2,3-dione

C17H15NO3 — CID 2145491

IUPAC7-methyl-1-(2-phenoxyethyl)indole-2,3-dione
SMILESCc1cccc2c1N(CCOc1ccccc1)C(=O)C2=O
InChIInChI=1S/C17H15NO3/c1-12-6-5-9-14-15(12)18(17(20)16(14)19)10-11-21-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyAPZMVIUFGITNIS-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.60
Rot. Bonds4

About 7-methyl-1-(2-phenoxyethyl)indole-2,3-dione

7-methyl-1-(2-phenoxyethyl)indole-2,3-dione (PubChem CID 2145491) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-methyl-1-(2-phenoxyethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-methyl-1-(2-phenoxyethyl)indole-2,3-dione
PubChem CID2145491
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name7-methyl-1-(2-phenoxyethyl)indole-2,3-dione
SMILESCc1cccc2c1N(CCOc1ccccc1)C(=O)C2=O
InChIInChI=1S/C17H15NO3/c1-12-6-5-9-14-15(12)18(17(20)16(14)19)10-11-21-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyAPZMVIUFGITNIS-UHFFFAOYSA-N
XLogP2.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-methyl-1-(2-phenoxyethyl)indole-2,3-dione?
The IUPAC name of 7-methyl-1-(2-phenoxyethyl)indole-2,3-dione (CID 2145491) is 7-methyl-1-(2-phenoxyethyl)indole-2,3-dione.
What is the SMILES notation for 7-methyl-1-(2-phenoxyethyl)indole-2,3-dione?
The canonical SMILES for 7-methyl-1-(2-phenoxyethyl)indole-2,3-dione is Cc1cccc2c1N(CCOc1ccccc1)C(=O)C2=O.
What is the InChIKey of 7-methyl-1-(2-phenoxyethyl)indole-2,3-dione?
The InChIKey is APZMVIUFGITNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12-6-5-9-14-15(12)18(17(20)16(14)19)10-11-21-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3.
What are the key properties of 7-methyl-1-(2-phenoxyethyl)indole-2,3-dione?
7-methyl-1-(2-phenoxyethyl)indole-2,3-dione has a molecular weight of 281.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-phenoxyethyl)indole-2,3-dione is sourced from PubChem (CID 2145491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).