5-(2-methylpropyl)-1H-indole-2,3-dione

C12H13NO2 — CID 13036487

IUPAC5-(2-methylpropyl)-1H-indole-2,3-dione
SMILESCC(C)Cc1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C12H13NO2/c1-7(2)5-8-3-4-10-9(6-8)11(14)12(15)13-10/h3-4,6-7H,5H2,1-2H3,(H,13,14,15)
InChIKeyBYJCGSYNQXKHKK-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.02
Rot. Bonds2

About 5-(2-methylpropyl)-1H-indole-2,3-dione

5-(2-methylpropyl)-1H-indole-2,3-dione (PubChem CID 13036487) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-(2-methylpropyl)-1H-indole-2,3-dione
PubChem CID13036487
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-(2-methylpropyl)-1H-indole-2,3-dione
SMILESCC(C)Cc1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C12H13NO2/c1-7(2)5-8-3-4-10-9(6-8)11(14)12(15)13-10/h3-4,6-7H,5H2,1-2H3,(H,13,14,15)
InChIKeyBYJCGSYNQXKHKK-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-azaniumyl-3-(2,3-dioxo-1H-indol-5-yl)propanoate
CID 59658407
(2S)-2-amino-3-(2,3-dioxo-1H-indol-5-yl)propanoic acid
CID 11651578
ethane;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane
CID 143558848
4-ethylphenol;5-ethylsulfanyl-1H-indole-2,3-dione;2-methylpropane
CID 143558810
5-bromo-1H-indole-2,3-dione;methane
CID 175094676
6-propyl-1H-indole-2,3-dione
CID 68953474
6-(2-methylpropyl)-3-sulfanylidene-2-benzofuran-1-one
CID 139672308
2,3-dioxo-1H-indole-5-carbonyl chloride
CID 58833990
2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride
CID 87793086
3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 63821918
CID 58833977
CID 58833977
5-(3,4-dichlorophenyl)-1H-indole-2,3-dione
CID 16768769

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1H-indole-2,3-dione?
The IUPAC name of 5-(2-methylpropyl)-1H-indole-2,3-dione (CID 13036487) is 5-(2-methylpropyl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-(2-methylpropyl)-1H-indole-2,3-dione?
The canonical SMILES for 5-(2-methylpropyl)-1H-indole-2,3-dione is CC(C)Cc1ccc2c(c1)C(=O)C(=O)N2.
What is the InChIKey of 5-(2-methylpropyl)-1H-indole-2,3-dione?
The InChIKey is BYJCGSYNQXKHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)5-8-3-4-10-9(6-8)11(14)12(15)13-10/h3-4,6-7H,5H2,1-2H3,(H,13,14,15).
What are the key properties of 5-(2-methylpropyl)-1H-indole-2,3-dione?
5-(2-methylpropyl)-1H-indole-2,3-dione has a molecular weight of 203.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1H-indole-2,3-dione is sourced from PubChem (CID 13036487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).