(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one

C16H15NO — CID 102419415

IUPAC(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
SMILESCc1ccc([C@]2(C)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15NO/c1-11-7-9-12(10-8-11)16(2)13-5-3-4-6-14(13)17-15(16)18/h3-10H,1-2H3,(H,17,18)/t16-/m0/s1
InChIKeyXQARPRQTXXOGBP-INIZCTEOSA-N
MW237.30 g/mol
LogP3.25
Rot. Bonds1

About (3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one

(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one (PubChem CID 102419415) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
PubChem CID102419415
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
SMILESCc1ccc([C@]2(C)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15NO/c1-11-7-9-12(10-8-11)16(2)13-5-3-4-6-14(13)17-15(16)18/h3-10H,1-2H3,(H,17,18)/t16-/m0/s1
InChIKeyXQARPRQTXXOGBP-INIZCTEOSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one?
The IUPAC name of (3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one (CID 102419415) is (3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one.
What is the SMILES notation for (3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one?
The canonical SMILES for (3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one is Cc1ccc([C@]2(C)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one?
The InChIKey is XQARPRQTXXOGBP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-7-9-12(10-8-11)16(2)13-5-3-4-6-14(13)17-15(16)18/h3-10H,1-2H3,(H,17,18)/t16-/m0/s1.
What are the key properties of (3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one?
(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one is sourced from PubChem (CID 102419415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).