1-(2,6-dimethylphenyl)-3H-indol-2-one

C16H15NO — CID 82044310

IUPAC1-(2,6-dimethylphenyl)-3H-indol-2-one
SMILESCc1cccc(C)c1N1C(=O)Cc2ccccc21
InChIInChI=1S/C16H15NO/c1-11-6-5-7-12(2)16(11)17-14-9-4-3-8-13(14)10-15(17)18/h3-9H,10H2,1-2H3
InChIKeyHSKWIDVZNSNSFN-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.52
Rot. Bonds1

About 1-(2,6-dimethylphenyl)-3H-indol-2-one

1-(2,6-dimethylphenyl)-3H-indol-2-one (PubChem CID 82044310) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3H-indol-2-one
PubChem CID82044310
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-(2,6-dimethylphenyl)-3H-indol-2-one
SMILESCc1cccc(C)c1N1C(=O)Cc2ccccc21
InChIInChI=1S/C16H15NO/c1-11-6-5-7-12(2)16(11)17-14-9-4-3-8-13(14)10-15(17)18/h3-9H,10H2,1-2H3
InChIKeyHSKWIDVZNSNSFN-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-methylphenyl)-3H-indol-2-one
CID 70610561
1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one
CID 134858041
1-[4-(aminomethyl)phenyl]-3H-indol-2-one
CID 117030089
4,10-dimethyl-9H-acridine
CID 159483382
10-[2-(1,3-dioxan-2-yl)-6-methylphenyl]-9H-acridine
CID 102051460
1-(4-hydroxyphenyl)-3H-indol-2-one
CID 11977007
1-benzyl-7-methyl-3H-indol-2-one
CID 100995763
1-phenyl-5H-1-benzazepine-2,4-dione
CID 67618146
1-[2-(methylamino)-1,3-thiazol-4-yl]-3H-indol-2-one
CID 54552302
1-(2,6-dichloro-4-hydroxy-3-methoxyphenyl)-3H-indol-2-one
CID 102003511
1-(1,3-thiazol-2-yl)-3H-indol-2-one
CID 14819388
3-(2-oxo-3H-indol-1-yl)pyrrole-2,5-dione
CID 57208656

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3H-indol-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-3H-indol-2-one (CID 82044310) is 1-(2,6-dimethylphenyl)-3H-indol-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3H-indol-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3H-indol-2-one is Cc1cccc(C)c1N1C(=O)Cc2ccccc21.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3H-indol-2-one?
The InChIKey is HSKWIDVZNSNSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-6-5-7-12(2)16(11)17-14-9-4-3-8-13(14)10-15(17)18/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3H-indol-2-one?
1-(2,6-dimethylphenyl)-3H-indol-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3H-indol-2-one is sourced from PubChem (CID 82044310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).