(3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one

C21H19NO — CID 146162623

IUPAC(3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one
SMILESCN1C(=O)[C@](C)(Cc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C21H19NO/c1-21(18-9-5-6-10-19(18)22(2)20(21)23)14-15-11-12-16-7-3-4-8-17(16)13-15/h3-13H,14H2,1-2H3/t21-/m1/s1
InChIKeyLVBPQIDJLXCOIW-OAQYLSRUSA-N
MW301.39 g/mol
LogP4.32
Rot. Bonds2

About (3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one

(3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one (PubChem CID 146162623) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one
PubChem CID146162623
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name(3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one
SMILESCN1C(=O)[C@](C)(Cc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C21H19NO/c1-21(18-9-5-6-10-19(18)22(2)20(21)23)14-15-11-12-16-7-3-4-8-17(16)13-15/h3-13H,14H2,1-2H3/t21-/m1/s1
InChIKeyLVBPQIDJLXCOIW-OAQYLSRUSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1,3-dimethylindol-2-one
CID 14449303
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
CID 125478862
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium
CID 59307304
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
9-methyl-4a-(naphthalen-2-ylmethyl)-3,4-dihydro-2H-carbazole
CID 143430591
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
(5Z)-1-ethyl-5-[(2E)-2-[3-methyl-3-(naphthalen-2-ylmethyl)-1-propylindol-2-ylidene]ethylidene]-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 145162792
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one?
The IUPAC name of (3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one (CID 146162623) is (3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one.
What is the SMILES notation for (3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one?
The canonical SMILES for (3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one is CN1C(=O)[C@](C)(Cc2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of (3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one?
The InChIKey is LVBPQIDJLXCOIW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19NO/c1-21(18-9-5-6-10-19(18)22(2)20(21)23)14-15-11-12-16-7-3-4-8-17(16)13-15/h3-13H,14H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one?
(3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one has a molecular weight of 301.39 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-one is sourced from PubChem (CID 146162623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).