(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one

C21H17NO3 — CID 798655

IUPAC(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
SMILESCN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C21H17NO3/c1-22-18-12-5-4-11-17(18)21(25,20(22)24)13-19(23)16-10-6-8-14-7-2-3-9-15(14)16/h2-12,25H,13H2,1H3/t21-/m1/s1
InChIKeyGLVCUQWRRXRKMN-OAQYLSRUSA-N
MW331.37 g/mol
LogP3.28
Rot. Bonds3

About (3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one

(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one (PubChem CID 798655) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
PubChem CID798655
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
SMILESCN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C21H17NO3/c1-22-18-12-5-4-11-17(18)21(25,20(22)24)13-19(23)16-10-6-8-14-7-2-3-9-15(14)16/h2-12,25H,13H2,1H3/t21-/m1/s1
InChIKeyGLVCUQWRRXRKMN-OAQYLSRUSA-N
XLogP3.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 7282002
3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-prop-2-ynylindol-2-one
CID 2916006
(3R)-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-prop-2-ynylindol-2-one
CID 1321563
3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3759443
3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one
CID 17131923
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 806504
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 1252411
(3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 823783
3-hydroxy-1-(morpholin-4-ylmethyl)-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 3805745
(3R)-1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 40878432
(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 1330612
(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 791129

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one (CID 798655) is (3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one is CN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
The InChIKey is GLVCUQWRRXRKMN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17NO3/c1-22-18-12-5-4-11-17(18)21(25,20(22)24)13-19(23)16-10-6-8-14-7-2-3-9-15(14)16/h2-12,25H,13H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one?
(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one has a molecular weight of 331.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one is sourced from PubChem (CID 798655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).