(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one

C14H20N2O — CID 97356041

IUPAC(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
SMILESCN(C)CC[C@@]1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-14(9-10-15(2)3)11-7-5-6-8-12(11)16(4)13(14)17/h5-8H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyUPAYZSFFTZXHER-CQSZACIVSA-N
MW232.33 g/mol
LogP1.87
Rot. Bonds3

About (3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one

(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one (PubChem CID 97356041) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
PubChem CID97356041
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
SMILESCN(C)CC[C@@]1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-14(9-10-15(2)3)11-7-5-6-8-12(11)16(4)13(14)17/h5-8H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyUPAYZSFFTZXHER-CQSZACIVSA-N
XLogP1.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile
CID 154710024
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
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one
CID 102223452
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
3-(1,3-dimethyl-2-oxoindol-3-yl)-2-methylpropanenitrile
CID 162413977
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
3-(cyclohexylmethyl)-1,3-dimethylindol-2-one
CID 102226125

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one?
The IUPAC name of (3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one (CID 97356041) is (3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one.
What is the SMILES notation for (3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one?
The canonical SMILES for (3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one is CN(C)CC[C@@]1(C)C(=O)N(C)c2ccccc21.
What is the InChIKey of (3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one?
The InChIKey is UPAYZSFFTZXHER-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(9-10-15(2)3)11-7-5-6-8-12(11)16(4)13(14)17/h5-8H,9-10H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one?
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one is sourced from PubChem (CID 97356041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).