dibenzofuran-2-carbonitrile

C13H7NO — CID 4102983

IUPACdibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C13H7NO/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7H
InChIKeyJMLMVVOQPAPVOQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP3.46
Rot. Bonds

About dibenzofuran-2-carbonitrile

dibenzofuran-2-carbonitrile (PubChem CID 4102983) has the molecular formula C13H7NO and a molecular weight of 193.20 g/mol. Its IUPAC name is dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Namedibenzofuran-2-carbonitrile
PubChem CID4102983
Molecular FormulaC13H7NO
Molecular Weight193.20 g/mol
Exact Mass193.05
IUPAC Namedibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C13H7NO/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7H
InChIKeyJMLMVVOQPAPVOQ-UHFFFAOYSA-N
XLogP3.46
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-carbonitrile?
The IUPAC name of dibenzofuran-2-carbonitrile (CID 4102983) is dibenzofuran-2-carbonitrile.
What is the SMILES notation for dibenzofuran-2-carbonitrile?
The canonical SMILES for dibenzofuran-2-carbonitrile is N#Cc1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-carbonitrile?
The InChIKey is JMLMVVOQPAPVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7H.
What are the key properties of dibenzofuran-2-carbonitrile?
dibenzofuran-2-carbonitrile has a molecular weight of 193.20 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-carbonitrile is sourced from PubChem (CID 4102983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).