5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one

C16H15NO — CID 122655729

IUPAC5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one
SMILESCc1cccc(C)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H15NO/c1-10-4-3-5-11(2)16(10)12-6-7-14-13(8-12)9-15(18)17-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyZKAVBWHGBZBUAU-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.47
Rot. Bonds1

About 5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one

5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one (PubChem CID 122655729) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one
PubChem CID122655729
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one
SMILESCc1cccc(C)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H15NO/c1-10-4-3-5-11(2)16(10)12-6-7-14-13(8-12)9-15(18)17-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyZKAVBWHGBZBUAU-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ropinirole
CID 5095
Oxindole
CID 321710
Ropinirole Hydrochloride
CID 68727
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
benz(cd)indol-2(1H)-one
CID 67222
5-Phenylisatin
CID 14810157
2,6-Dimethylphenylphthalimide
CID 73324
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
DR-4004
CID 9843179
3-Methyloxindole
CID 150923
3-((3,4-Dimethylphenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 135406017

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one (CID 122655729) is 5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one is Cc1cccc(C)c1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one?
The InChIKey is ZKAVBWHGBZBUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-10-4-3-5-11(2)16(10)12-6-7-14-13(8-12)9-15(18)17-14/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one?
5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 122655729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).