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

C19H26N2O — CID 132558232

IUPAC3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
SMILESCN1C(=O)C(C)(CC(C)(C)C#N)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C19H26N2O/c1-17(2,3)13-8-9-15-14(10-13)19(6,16(22)21(15)7)11-18(4,5)12-20/h8-10H,11H2,1-7H3
InChIKeyOZOGMKDXZXQHBL-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.16
Rot. Bonds2

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

3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile (PubChem CID 132558232) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
PubChem CID132558232
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
SMILESCN1C(=O)C(C)(CC(C)(C)C#N)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C19H26N2O/c1-17(2,3)13-8-9-15-14(10-13)19(6,16(22)21(15)7)11-18(4,5)12-20/h8-10H,11H2,1-7H3
InChIKeyOZOGMKDXZXQHBL-UHFFFAOYSA-N
XLogP4.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile (CID 132558232) is 3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile is CN1C(=O)C(C)(CC(C)(C)C#N)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
The InChIKey is OZOGMKDXZXQHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-17(2,3)13-8-9-15-14(10-13)19(6,16(22)21(15)7)11-18(4,5)12-20/h8-10H,11H2,1-7H3.
What are the key properties of 3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile?
3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile has a molecular weight of 298.43 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 132558232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).