dibenzo-p-dioxin-1-carbonitrile

C13H7NO2 — CID 11275811

IUPACdibenzo-p-dioxin-1-carbonitrile
SMILESN#Cc1cccc2c1Oc1ccccc1O2
InChIInChI=1S/C13H7NO2/c14-8-9-4-3-7-12-13(9)16-11-6-2-1-5-10(11)15-12/h1-7H
InChIKeySIFGLLCKPFRDCO-UHFFFAOYSA-N
MW209.20 g/mol
LogP3.46
Rot. Bonds

About dibenzo-p-dioxin-1-carbonitrile

dibenzo-p-dioxin-1-carbonitrile (PubChem CID 11275811) has the molecular formula C13H7NO2 and a molecular weight of 209.20 g/mol. Its IUPAC name is dibenzo-p-dioxin-1-carbonitrile.

Molecular Properties

Compound Namedibenzo-p-dioxin-1-carbonitrile
PubChem CID11275811
Molecular FormulaC13H7NO2
Molecular Weight209.20 g/mol
Exact Mass209.05
IUPAC Namedibenzo-p-dioxin-1-carbonitrile
SMILESN#Cc1cccc2c1Oc1ccccc1O2
InChIInChI=1S/C13H7NO2/c14-8-9-4-3-7-12-13(9)16-11-6-2-1-5-10(11)15-12/h1-7H
InChIKeySIFGLLCKPFRDCO-UHFFFAOYSA-N
XLogP3.46
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dibenzo-p-dioxin-1-carbonitrile?
The IUPAC name of dibenzo-p-dioxin-1-carbonitrile (CID 11275811) is dibenzo-p-dioxin-1-carbonitrile.
What is the SMILES notation for dibenzo-p-dioxin-1-carbonitrile?
The canonical SMILES for dibenzo-p-dioxin-1-carbonitrile is N#Cc1cccc2c1Oc1ccccc1O2.
What is the InChIKey of dibenzo-p-dioxin-1-carbonitrile?
The InChIKey is SIFGLLCKPFRDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO2/c14-8-9-4-3-7-12-13(9)16-11-6-2-1-5-10(11)15-12/h1-7H.
What are the key properties of dibenzo-p-dioxin-1-carbonitrile?
dibenzo-p-dioxin-1-carbonitrile has a molecular weight of 209.20 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzo-p-dioxin-1-carbonitrile is sourced from PubChem (CID 11275811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).