5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one

C13H15NO2 — CID 43160600

IUPAC5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15NO2/c1-13(2,3)12(16)8-4-5-10-9(6-8)7-11(15)14-10/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyWZLSCKMRSQKZHK-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.41
Rot. Bonds1

About 5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one

5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one (PubChem CID 43160600) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
PubChem CID43160600
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15NO2/c1-13(2,3)12(16)8-4-5-10-9(6-8)7-11(15)14-10/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyWZLSCKMRSQKZHK-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823
N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103868642
2-oxo-1,3-dihydroindole-5-carbonyl cyanide
CID 116918958
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
CID 103309352
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
CID 102710703
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
N-(2-methyl-2-methylsulfanylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103713488
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one (CID 43160600) is 5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one is CC(C)(C)C(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one?
The InChIKey is WZLSCKMRSQKZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2,3)12(16)8-4-5-10-9(6-8)7-11(15)14-10/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one?
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43160600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).