2-methyl-2-(2-oxopropyl)-1H-indol-3-one

C12H13NO2 — CID 121014651

IUPAC2-methyl-2-(2-oxopropyl)-1H-indol-3-one
SMILESCC(=O)CC1(C)Nc2ccccc2C1=O
InChIInChI=1S/C12H13NO2/c1-8(14)7-12(2)11(15)9-5-3-4-6-10(9)13-12/h3-6,13H,7H2,1-2H3
InChIKeyVTNXIXVKIRUTDG-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.03
Rot. Bonds2

About 2-methyl-2-(2-oxopropyl)-1H-indol-3-one

2-methyl-2-(2-oxopropyl)-1H-indol-3-one (PubChem CID 121014651) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methyl-2-(2-oxopropyl)-1H-indol-3-one.

Molecular Properties

Compound Name2-methyl-2-(2-oxopropyl)-1H-indol-3-one
PubChem CID121014651
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-methyl-2-(2-oxopropyl)-1H-indol-3-one
SMILESCC(=O)CC1(C)Nc2ccccc2C1=O
InChIInChI=1S/C12H13NO2/c1-8(14)7-12(2)11(15)9-5-3-4-6-10(9)13-12/h3-6,13H,7H2,1-2H3
InChIKeyVTNXIXVKIRUTDG-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(2-oxopropyl)-1H-indol-3-one 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

2-[(2-bromophenyl)methyl]-2-methyl-1H-indol-3-one
CID 172635518
ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate
CID 122364960
2,2-dimethyl-1,3-dihydroquinazolin-4-one
CID 595161
ethyl 2-(2-chloroprop-2-enyl)-3-oxo-1H-indole-2-carboxylate
CID 142664177
2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
CID 154722470
ethyl (2S)-4-hydroxy-2-methyl-1H-quinoline-2-carboxylate
CID 98116031
spiro[1H-indole-2,2'-oxolane]-3-one
CID 130005415
2,2-diethyl-1,3-dihydroquinazolin-4-one
CID 12925301
(3S,4R,5S)-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxylic acid
CID 73440626
methyl 3-oxo-2-(1H-pyrrol-2-yl)-1H-indole-2-carboxylate
CID 139554600
(3R)-3-hydroxy-4-iodo-3-(2-oxopropyl)-1H-indol-2-one
CID 102048985
(3S)-4-bromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 102230628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-oxopropyl)-1H-indol-3-one?
The IUPAC name of 2-methyl-2-(2-oxopropyl)-1H-indol-3-one (CID 121014651) is 2-methyl-2-(2-oxopropyl)-1H-indol-3-one.
What is the SMILES notation for 2-methyl-2-(2-oxopropyl)-1H-indol-3-one?
The canonical SMILES for 2-methyl-2-(2-oxopropyl)-1H-indol-3-one is CC(=O)CC1(C)Nc2ccccc2C1=O.
What is the InChIKey of 2-methyl-2-(2-oxopropyl)-1H-indol-3-one?
The InChIKey is VTNXIXVKIRUTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(14)7-12(2)11(15)9-5-3-4-6-10(9)13-12/h3-6,13H,7H2,1-2H3.
What are the key properties of 2-methyl-2-(2-oxopropyl)-1H-indol-3-one?
2-methyl-2-(2-oxopropyl)-1H-indol-3-one has a molecular weight of 203.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-oxopropyl)-1H-indol-3-one is sourced from PubChem (CID 121014651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).