2-ethoxy-2-naphthalen-2-ylacetonitrile

C14H13NO — CID 10262571

IUPAC2-ethoxy-2-naphthalen-2-ylacetonitrile
SMILESCCOC(C#N)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO/c1-2-16-14(10-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,2H2,1H3
InChIKeySERAXWXRCADJHK-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.44
Rot. Bonds3

About 2-ethoxy-2-naphthalen-2-ylacetonitrile

2-ethoxy-2-naphthalen-2-ylacetonitrile (PubChem CID 10262571) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-ethoxy-2-naphthalen-2-ylacetonitrile.

Molecular Properties

Compound Name2-ethoxy-2-naphthalen-2-ylacetonitrile
PubChem CID10262571
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name2-ethoxy-2-naphthalen-2-ylacetonitrile
SMILESCCOC(C#N)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO/c1-2-16-14(10-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,2H2,1H3
InChIKeySERAXWXRCADJHK-UHFFFAOYSA-N
XLogP3.44
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Naphthalen-2-yl)oxirane
CID 30333
1-Naphthylmethyl methyl ether
CID 22195
1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
CID 9856159
9-Anthryloxirane
CID 43720
4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile
CID 97975
2-Methoxy-2-(2-naphthyl)acetonitrile
CID 10104166
2-(2-Naphthyl)-2-(pentyloxy)acetonitrile
CID 10400018
2-(Benzyloxy)-2-(2-naphthyl)acetonitrile
CID 10468522
1a,9a-Dihydrophenanthro(1,2-b)oxirene
CID 148323
1a,9c-Dihydrophenanthro(3,4-b)oxirene
CID 148324
Pyrene-1,2-oxide
CID 9543286
Benzanthracene-8,9-oxide
CID 36838

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-naphthalen-2-ylacetonitrile?
The IUPAC name of 2-ethoxy-2-naphthalen-2-ylacetonitrile (CID 10262571) is 2-ethoxy-2-naphthalen-2-ylacetonitrile.
What is the SMILES notation for 2-ethoxy-2-naphthalen-2-ylacetonitrile?
The canonical SMILES for 2-ethoxy-2-naphthalen-2-ylacetonitrile is CCOC(C#N)c1ccc2ccccc2c1.
What is the InChIKey of 2-ethoxy-2-naphthalen-2-ylacetonitrile?
The InChIKey is SERAXWXRCADJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-2-16-14(10-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,2H2,1H3.
What are the key properties of 2-ethoxy-2-naphthalen-2-ylacetonitrile?
2-ethoxy-2-naphthalen-2-ylacetonitrile has a molecular weight of 211.26 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-naphthalen-2-ylacetonitrile is sourced from PubChem (CID 10262571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).