3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile

C15H17FN2O — CID 122383977

IUPAC3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
SMILESCN1C(=O)C(C)(CC(C)(C)C#N)c2cc(F)ccc21
InChIInChI=1S/C15H17FN2O/c1-14(2,9-17)8-15(3)11-7-10(16)5-6-12(11)18(4)13(15)19/h5-7H,8H2,1-4H3
InChIKeyYYYAZOQIJFAOTA-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.00
Rot. Bonds2

About 3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile

3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile (PubChem CID 122383977) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
PubChem CID122383977
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
SMILESCN1C(=O)C(C)(CC(C)(C)C#N)c2cc(F)ccc21
InChIInChI=1S/C15H17FN2O/c1-14(2,9-17)8-15(3)11-7-10(16)5-6-12(11)18(4)13(15)19/h5-7H,8H2,1-4H3
InChIKeyYYYAZOQIJFAOTA-UHFFFAOYSA-N
XLogP3.00
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile (CID 122383977) is 3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile is CN1C(=O)C(C)(CC(C)(C)C#N)c2cc(F)ccc21.
What is the InChIKey of 3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
The InChIKey is YYYAZOQIJFAOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-14(2,9-17)8-15(3)11-7-10(16)5-6-12(11)18(4)13(15)19/h5-7H,8H2,1-4H3.
What are the key properties of 3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile has a molecular weight of 260.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 122383977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).