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

C15H19NO2 — CID 55055195

IUPAC5-methyl-1-(2-methylpentyl)indole-2,3-dione
SMILESCCCC(C)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C15H19NO2/c1-4-5-11(3)9-16-13-7-6-10(2)8-12(13)14(17)15(16)18/h6-8,11H,4-5,9H2,1-3H3
InChIKeyDTCOWEGEDOBEFI-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.96
Rot. Bonds4

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

5-methyl-1-(2-methylpentyl)indole-2,3-dione (PubChem CID 55055195) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpentyl)indole-2,3-dione.

Molecular Properties

Compound Name5-methyl-1-(2-methylpentyl)indole-2,3-dione
PubChem CID55055195
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-methyl-1-(2-methylpentyl)indole-2,3-dione
SMILESCCCC(C)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C15H19NO2/c1-4-5-11(3)9-16-13-7-6-10(2)8-12(13)14(17)15(16)18/h6-8,11H,4-5,9H2,1-3H3
InChIKeyDTCOWEGEDOBEFI-UHFFFAOYSA-N
XLogP2.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-methyl-1-(2-methylpentyl)indole-2,3-dione?
The IUPAC name of 5-methyl-1-(2-methylpentyl)indole-2,3-dione (CID 55055195) is 5-methyl-1-(2-methylpentyl)indole-2,3-dione.
What is the SMILES notation for 5-methyl-1-(2-methylpentyl)indole-2,3-dione?
The canonical SMILES for 5-methyl-1-(2-methylpentyl)indole-2,3-dione is CCCC(C)CN1C(=O)C(=O)c2cc(C)ccc21.
What is the InChIKey of 5-methyl-1-(2-methylpentyl)indole-2,3-dione?
The InChIKey is DTCOWEGEDOBEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-5-11(3)9-16-13-7-6-10(2)8-12(13)14(17)15(16)18/h6-8,11H,4-5,9H2,1-3H3.
What are the key properties of 5-methyl-1-(2-methylpentyl)indole-2,3-dione?
5-methyl-1-(2-methylpentyl)indole-2,3-dione has a molecular weight of 245.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpentyl)indole-2,3-dione is sourced from PubChem (CID 55055195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).