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

C18H17NO3 — CID 2141782

IUPAC7-methyl-1-(3-phenoxypropyl)indole-2,3-dione
SMILESCc1cccc2c1N(CCCOc1ccccc1)C(=O)C2=O
InChIInChI=1S/C18H17NO3/c1-13-7-5-10-15-16(13)19(18(21)17(15)20)11-6-12-22-14-8-3-2-4-9-14/h2-5,7-10H,6,11-12H2,1H3
InChIKeyQLYGFKZPJQSCOF-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.99
Rot. Bonds5

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

7-methyl-1-(3-phenoxypropyl)indole-2,3-dione (PubChem CID 2141782) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-methyl-1-(3-phenoxypropyl)indole-2,3-dione.

Molecular Properties

Compound Name7-methyl-1-(3-phenoxypropyl)indole-2,3-dione
PubChem CID2141782
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name7-methyl-1-(3-phenoxypropyl)indole-2,3-dione
SMILESCc1cccc2c1N(CCCOc1ccccc1)C(=O)C2=O
InChIInChI=1S/C18H17NO3/c1-13-7-5-10-15-16(13)19(18(21)17(15)20)11-6-12-22-14-8-3-2-4-9-14/h2-5,7-10H,6,11-12H2,1H3
InChIKeyQLYGFKZPJQSCOF-UHFFFAOYSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(3-phenoxypropyl)indole-2,3-dione?
The IUPAC name of 7-methyl-1-(3-phenoxypropyl)indole-2,3-dione (CID 2141782) is 7-methyl-1-(3-phenoxypropyl)indole-2,3-dione.
What is the SMILES notation for 7-methyl-1-(3-phenoxypropyl)indole-2,3-dione?
The canonical SMILES for 7-methyl-1-(3-phenoxypropyl)indole-2,3-dione is Cc1cccc2c1N(CCCOc1ccccc1)C(=O)C2=O.
What is the InChIKey of 7-methyl-1-(3-phenoxypropyl)indole-2,3-dione?
The InChIKey is QLYGFKZPJQSCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-13-7-5-10-15-16(13)19(18(21)17(15)20)11-6-12-22-14-8-3-2-4-9-14/h2-5,7-10H,6,11-12H2,1H3.
What are the key properties of 7-methyl-1-(3-phenoxypropyl)indole-2,3-dione?
7-methyl-1-(3-phenoxypropyl)indole-2,3-dione has a molecular weight of 295.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(3-phenoxypropyl)indole-2,3-dione is sourced from PubChem (CID 2141782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).