2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

C15H17NO2 — CID 65395649

IUPAC2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
SMILESN#CC1(CCOc2ccccc2)CC2CCC1O2
InChIInChI=1S/C15H17NO2/c16-11-15(10-13-6-7-14(15)18-13)8-9-17-12-4-2-1-3-5-12/h1-5,13-14H,6-10H2
InChIKeyFKLYVZSAFOGPJO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.92
Rot. Bonds4

About 2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 65395649) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID65395649
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
SMILESN#CC1(CCOc2ccccc2)CC2CCC1O2
InChIInChI=1S/C15H17NO2/c16-11-15(10-13-6-7-14(15)18-13)8-9-17-12-4-2-1-3-5-12/h1-5,13-14H,6-10H2
InChIKeyFKLYVZSAFOGPJO-UHFFFAOYSA-N
XLogP2.92
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile (CID 65395649) is 2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile is N#CC1(CCOc2ccccc2)CC2CCC1O2.
What is the InChIKey of 2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is FKLYVZSAFOGPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c16-11-15(10-13-6-7-14(15)18-13)8-9-17-12-4-2-1-3-5-12/h1-5,13-14H,6-10H2.
What are the key properties of 2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile?
2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 65395649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).