1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione

C15H20N2O2 — CID 81309049

IUPAC1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione
SMILESCCC(CC)N(C)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C15H20N2O2/c1-5-10(6-2)16(3)11-7-8-12-13(9-11)17(4)15(19)14(12)18/h7-10H,5-6H2,1-4H3
InChIKeyULTAVDJLPFDIGJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.47
Rot. Bonds4

About 1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione

1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione (PubChem CID 81309049) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione.

Molecular Properties

Compound Name1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione
PubChem CID81309049
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione
SMILESCCC(CC)N(C)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C15H20N2O2/c1-5-10(6-2)16(3)11-7-8-12-13(9-11)17(4)15(19)14(12)18/h7-10H,5-6H2,1-4H3
InChIKeyULTAVDJLPFDIGJ-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.47
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 1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione?
The IUPAC name of 1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione (CID 81309049) is 1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione.
What is the SMILES notation for 1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione?
The canonical SMILES for 1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione is CCC(CC)N(C)c1ccc2c(c1)N(C)C(=O)C2=O.
What is the InChIKey of 1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione?
The InChIKey is ULTAVDJLPFDIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-10(6-2)16(3)11-7-8-12-13(9-11)17(4)15(19)14(12)18/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione?
1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione has a molecular weight of 260.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[methyl(pentan-3-yl)amino]indole-2,3-dione is sourced from PubChem (CID 81309049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).