2-methoxy-2-naphthalen-2-ylacetonitrile

C13H11NO — CID 10104166

IUPAC2-methoxy-2-naphthalen-2-ylacetonitrile
SMILESCOC(C#N)c1ccc2ccccc2c1
InChIInChI=1S/C13H11NO/c1-15-13(9-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,1H3
InChIKeyJDVRUILJVSKUFH-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.05
Rot. Bonds2

About 2-methoxy-2-naphthalen-2-ylacetonitrile

2-methoxy-2-naphthalen-2-ylacetonitrile (PubChem CID 10104166) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methoxy-2-naphthalen-2-ylacetonitrile.

Molecular Properties

Compound Name2-methoxy-2-naphthalen-2-ylacetonitrile
PubChem CID10104166
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name2-methoxy-2-naphthalen-2-ylacetonitrile
SMILESCOC(C#N)c1ccc2ccccc2c1
InChIInChI=1S/C13H11NO/c1-15-13(9-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,1H3
InChIKeyJDVRUILJVSKUFH-UHFFFAOYSA-N
XLogP3.05
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-naphthalen-2-ylacetonitrile?
The IUPAC name of 2-methoxy-2-naphthalen-2-ylacetonitrile (CID 10104166) is 2-methoxy-2-naphthalen-2-ylacetonitrile.
What is the SMILES notation for 2-methoxy-2-naphthalen-2-ylacetonitrile?
The canonical SMILES for 2-methoxy-2-naphthalen-2-ylacetonitrile is COC(C#N)c1ccc2ccccc2c1.
What is the InChIKey of 2-methoxy-2-naphthalen-2-ylacetonitrile?
The InChIKey is JDVRUILJVSKUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-15-13(9-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,1H3.
What are the key properties of 2-methoxy-2-naphthalen-2-ylacetonitrile?
2-methoxy-2-naphthalen-2-ylacetonitrile has a molecular weight of 197.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-naphthalen-2-ylacetonitrile is sourced from PubChem (CID 10104166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).