6-methyl-1-propan-2-ylindole-2,3-dione

C12H13NO2 — CID 83753507

IUPAC6-methyl-1-propan-2-ylindole-2,3-dione
SMILESCc1ccc2c(c1)N(C(C)C)C(=O)C2=O
InChIInChI=1S/C12H13NO2/c1-7(2)13-10-6-8(3)4-5-9(10)11(14)12(13)15/h4-7H,1-3H3
InChIKeyANKTWUZVBYJGLB-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.93
Rot. Bonds1

About 6-methyl-1-propan-2-ylindole-2,3-dione

6-methyl-1-propan-2-ylindole-2,3-dione (PubChem CID 83753507) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-methyl-1-propan-2-ylindole-2,3-dione.

Molecular Properties

Compound Name6-methyl-1-propan-2-ylindole-2,3-dione
PubChem CID83753507
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-methyl-1-propan-2-ylindole-2,3-dione
SMILESCc1ccc2c(c1)N(C(C)C)C(=O)C2=O
InChIInChI=1S/C12H13NO2/c1-7(2)13-10-6-8(3)4-5-9(10)11(14)12(13)15/h4-7H,1-3H3
InChIKeyANKTWUZVBYJGLB-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-1-propan-2-ylindole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-(5-methyl-2,3-dioxoindol-1-yl)pentanoic acid
CID 67775873
2,2,6-trimethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 70837441
(3Z)-7-bromo-3-(dimethylaminomethylidene)-1-propan-2-ylquinoline-2,4-dione
CID 89453847
6-fluoro-1-(3-oxopentan-2-yl)indole-2,3-dione
CID 64866720
6-(2,5-dimethylphenyl)sulfanyl-1-methylindole-2,3-dione
CID 81301272
6,13-bis(2,5-dimethylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 1035548
6-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 83509588
2-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methylisoindole-1,3-dione
CID 79244817
11-methylidene-5-propan-2-ylbenzo[b][1,4]benzothiazepin-6-one
CID 140668874
5-methyl-1-(2-methylpentyl)indole-2,3-dione
CID 55055195
2-(2-fluoro-4-methylphenyl)isoquinoline-1,3,4-trione
CID 101438443
3-(3,7-dimethyl-1,4-dioxonaphthalen-2-yl)-2,6-dimethylnaphthalene-1,4-dione
CID 59053380

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-ylindole-2,3-dione?
The IUPAC name of 6-methyl-1-propan-2-ylindole-2,3-dione (CID 83753507) is 6-methyl-1-propan-2-ylindole-2,3-dione.
What is the SMILES notation for 6-methyl-1-propan-2-ylindole-2,3-dione?
The canonical SMILES for 6-methyl-1-propan-2-ylindole-2,3-dione is Cc1ccc2c(c1)N(C(C)C)C(=O)C2=O.
What is the InChIKey of 6-methyl-1-propan-2-ylindole-2,3-dione?
The InChIKey is ANKTWUZVBYJGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)13-10-6-8(3)4-5-9(10)11(14)12(13)15/h4-7H,1-3H3.
What are the key properties of 6-methyl-1-propan-2-ylindole-2,3-dione?
6-methyl-1-propan-2-ylindole-2,3-dione has a molecular weight of 203.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-ylindole-2,3-dione is sourced from PubChem (CID 83753507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).