3,5-dicyclopropyloxybenzonitrile

C13H13NO2 — CID 147229414

IUPAC3,5-dicyclopropyloxybenzonitrile
SMILESN#Cc1cc(OC2CC2)cc(OC2CC2)c1
InChIInChI=1S/C13H13NO2/c14-8-9-5-12(15-10-1-2-10)7-13(6-9)16-11-3-4-11/h5-7,10-11H,1-4H2
InChIKeyCIPOBPJNAXRHPJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.64
Rot. Bonds4

About 3,5-dicyclopropyloxybenzonitrile

3,5-dicyclopropyloxybenzonitrile (PubChem CID 147229414) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3,5-dicyclopropyloxybenzonitrile.

Molecular Properties

Compound Name3,5-dicyclopropyloxybenzonitrile
PubChem CID147229414
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3,5-dicyclopropyloxybenzonitrile
SMILESN#Cc1cc(OC2CC2)cc(OC2CC2)c1
InChIInChI=1S/C13H13NO2/c14-8-9-5-12(15-10-1-2-10)7-13(6-9)16-11-3-4-11/h5-7,10-11H,1-4H2
InChIKeyCIPOBPJNAXRHPJ-UHFFFAOYSA-N
XLogP2.64
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dicyclopropyloxybenzonitrile?
The IUPAC name of 3,5-dicyclopropyloxybenzonitrile (CID 147229414) is 3,5-dicyclopropyloxybenzonitrile.
What is the SMILES notation for 3,5-dicyclopropyloxybenzonitrile?
The canonical SMILES for 3,5-dicyclopropyloxybenzonitrile is N#Cc1cc(OC2CC2)cc(OC2CC2)c1.
What is the InChIKey of 3,5-dicyclopropyloxybenzonitrile?
The InChIKey is CIPOBPJNAXRHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c14-8-9-5-12(15-10-1-2-10)7-13(6-9)16-11-3-4-11/h5-7,10-11H,1-4H2.
What are the key properties of 3,5-dicyclopropyloxybenzonitrile?
3,5-dicyclopropyloxybenzonitrile has a molecular weight of 215.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclopropyloxybenzonitrile is sourced from PubChem (CID 147229414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).