1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one

C17H18N2O — CID 102223452

IUPAC1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one
SMILESCN1C(=O)C(C)(CCc2cccnc2)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-17(10-9-13-6-5-11-18-12-13)14-7-3-4-8-15(14)19(2)16(17)20/h3-8,11-12H,9-10H2,1-2H3
InChIKeyCROOHKPDGZJEKI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.95
Rot. Bonds3

About 1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one

1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one (PubChem CID 102223452) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one
PubChem CID102223452
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one
SMILESCN1C(=O)C(C)(CCc2cccnc2)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-17(10-9-13-6-5-11-18-12-13)14-7-3-4-8-15(14)19(2)16(17)20/h3-8,11-12H,9-10H2,1-2H3
InChIKeyCROOHKPDGZJEKI-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one
CID 142721308
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 95563231
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
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one
CID 21300254
1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
CID 110764380
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one?
The IUPAC name of 1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one (CID 102223452) is 1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one.
What is the SMILES notation for 1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one?
The canonical SMILES for 1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one is CN1C(=O)C(C)(CCc2cccnc2)c2ccccc21.
What is the InChIKey of 1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one?
The InChIKey is CROOHKPDGZJEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-17(10-9-13-6-5-11-18-12-13)14-7-3-4-8-15(14)19(2)16(17)20/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one?
1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one is sourced from PubChem (CID 102223452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).