[cyano(naphthalen-2-yl)methyl] acetate

C14H11NO2 — CID 10398745

IUPAC[cyano(naphthalen-2-yl)methyl] acetate
SMILESCC(=O)OC(C#N)c1ccc2ccccc2c1
InChIInChI=1S/C14H11NO2/c1-10(16)17-14(9-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14H,1H3
InChIKeyIHNFYCSRMWGBLC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.97
Rot. Bonds2

About [cyano(naphthalen-2-yl)methyl] acetate

[cyano(naphthalen-2-yl)methyl] acetate (PubChem CID 10398745) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is [cyano(naphthalen-2-yl)methyl] acetate.

Molecular Properties

Compound Name[cyano(naphthalen-2-yl)methyl] acetate
PubChem CID10398745
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name[cyano(naphthalen-2-yl)methyl] acetate
SMILESCC(=O)OC(C#N)c1ccc2ccccc2c1
InChIInChI=1S/C14H11NO2/c1-10(16)17-14(9-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14H,1H3
InChIKeyIHNFYCSRMWGBLC-UHFFFAOYSA-N
XLogP2.97
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [cyano(naphthalen-2-yl)methyl] acetate?
The IUPAC name of [cyano(naphthalen-2-yl)methyl] acetate (CID 10398745) is [cyano(naphthalen-2-yl)methyl] acetate.
What is the SMILES notation for [cyano(naphthalen-2-yl)methyl] acetate?
The canonical SMILES for [cyano(naphthalen-2-yl)methyl] acetate is CC(=O)OC(C#N)c1ccc2ccccc2c1.
What is the InChIKey of [cyano(naphthalen-2-yl)methyl] acetate?
The InChIKey is IHNFYCSRMWGBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-10(16)17-14(9-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14H,1H3.
What are the key properties of [cyano(naphthalen-2-yl)methyl] acetate?
[cyano(naphthalen-2-yl)methyl] acetate has a molecular weight of 225.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(naphthalen-2-yl)methyl] acetate is sourced from PubChem (CID 10398745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).