(3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one

Name: (3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₆N₂O — CID 125448878

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one

SMILESCc1ccc(-c2ccc3c(c2)[C@](C)(N)C(=O)N3)cc1

InChIInChI=1S/C16H16N2O/c1-10-3-5-11(6-4-10)12-7-8-14-13(9-12)16(2,17)15(19)18-14/h3-9H,17H2,1-2H3,(H,18,19)/t16-/m0/s1

InChIKeyXUFTXOMKYJJEEM-INIZCTEOSA-N

MW252.32 g/mol

LogP2.79

Rot. Bonds1

About (3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one

(3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one (PubChem CID 125448878) has the molecular formula C₁₆H₁₆N₂O and a molecular weight of 252.32 g/mol. Its IUPAC name is (3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name	(3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one
PubChem CID	125448878
Molecular Formula	C₁₆H₁₆N₂O
Molecular Weight	252.32 g/mol
Exact Mass	252.13
IUPAC Name	(3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one
SMILES	Cc1ccc(-c2ccc3c(c2)[C@](C)(N)C(=O)N3)cc1
InChI	InChI=1S/C16H16N2O/c1-10-3-5-11(6-4-10)12-7-8-14-13(9-12)16(2,17)15(19)18-14/h3-9H,17H2,1-2H3,(H,18,19)/t16-/m0/s1
InChIKey	XUFTXOMKYJJEEM-INIZCTEOSA-N
XLogP	2.79
TPSA	55.12 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.32
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one?

The IUPAC name of (3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one (CID 125448878) is (3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one.

What is the SMILES notation for (3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one?

The canonical SMILES for (3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one is Cc1ccc(-c2ccc3c(c2)[C@](C)(N)C(=O)N3)cc1.

What is the InChIKey of (3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one?

The InChIKey is XUFTXOMKYJJEEM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-3-5-11(6-4-10)12-7-8-14-13(9-12)16(2,17)15(19)18-14/h3-9H,17H2,1-2H3,(H,18,19)/t16-/m0/s1.

What are the key properties of (3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one?

(3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one is sourced from PubChem (CID 125448878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 125448878 — identifiers, structure, computed properties (public domain)

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