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

C18H17NO3 — CID 3157307

IUPAC5-methyl-1-(3-phenoxypropyl)indole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2CCCOc1ccccc1
InChIInChI=1S/C18H17NO3/c1-13-8-9-16-15(12-13)17(20)18(21)19(16)10-5-11-22-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3
InChIKeyKBBFARCITIBGSG-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.99
Rot. Bonds5

About 5-methyl-1-(3-phenoxypropyl)indole-2,3-dione

5-methyl-1-(3-phenoxypropyl)indole-2,3-dione (PubChem CID 3157307) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-methyl-1-(3-phenoxypropyl)indole-2,3-dione.

Molecular Properties

Compound Name5-methyl-1-(3-phenoxypropyl)indole-2,3-dione
PubChem CID3157307
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name5-methyl-1-(3-phenoxypropyl)indole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2CCCOc1ccccc1
InChIInChI=1S/C18H17NO3/c1-13-8-9-16-15(12-13)17(20)18(21)19(16)10-5-11-22-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3
InChIKeyKBBFARCITIBGSG-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 5-methyl-1-(3-phenoxypropyl)indole-2,3-dione?
The IUPAC name of 5-methyl-1-(3-phenoxypropyl)indole-2,3-dione (CID 3157307) is 5-methyl-1-(3-phenoxypropyl)indole-2,3-dione.
What is the SMILES notation for 5-methyl-1-(3-phenoxypropyl)indole-2,3-dione?
The canonical SMILES for 5-methyl-1-(3-phenoxypropyl)indole-2,3-dione is Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc1ccccc1.
What is the InChIKey of 5-methyl-1-(3-phenoxypropyl)indole-2,3-dione?
The InChIKey is KBBFARCITIBGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-13-8-9-16-15(12-13)17(20)18(21)19(16)10-5-11-22-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3.
What are the key properties of 5-methyl-1-(3-phenoxypropyl)indole-2,3-dione?
5-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 5-methyl-1-(3-phenoxypropyl)indole-2,3-dione is sourced from PubChem (CID 3157307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).