2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile

C14H18N2O — CID 118327873

IUPAC2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile
SMILESCC(C)(C)c1ccc(N=O)c(C(C)(C)C#N)c1
InChIInChI=1S/C14H18N2O/c1-13(2,3)10-6-7-12(16-17)11(8-10)14(4,5)9-15/h6-8H,1-5H3
InChIKeyQEGUOUKZOLLDAO-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.18
Rot. Bonds2

About 2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile

2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile (PubChem CID 118327873) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile
PubChem CID118327873
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile
SMILESCC(C)(C)c1ccc(N=O)c(C(C)(C)C#N)c1
InChIInChI=1S/C14H18N2O/c1-13(2,3)10-6-7-12(16-17)11(8-10)14(4,5)9-15/h6-8H,1-5H3
InChIKeyQEGUOUKZOLLDAO-UHFFFAOYSA-N
XLogP4.18
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile (CID 118327873) is 2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile is CC(C)(C)c1ccc(N=O)c(C(C)(C)C#N)c1.
What is the InChIKey of 2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile?
The InChIKey is QEGUOUKZOLLDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-13(2,3)10-6-7-12(16-17)11(8-10)14(4,5)9-15/h6-8H,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile?
2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile has a molecular weight of 230.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-nitrosophenyl)-2-methylpropanenitrile is sourced from PubChem (CID 118327873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).