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

C16H16N2O — CID 125448878

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 CID125448878
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(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
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130059248
(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130731291
5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82483609
(3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one
CID 131128791
3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one
CID 163274537
5-methoxy-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
CID 126472533
5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one
CID 82487599
(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
CID 102419415
(3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one
CID 130682503
(3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one
CID 130649300
5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one
CID 82478006

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).