4-amino-8,9-dihydrodibenzofuran-3-carbonitrile

C13H10N2O — CID 163438436

IUPAC4-amino-8,9-dihydrodibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c3c(oc2c1N)C=CCC3
InChIInChI=1S/C13H10N2O/c14-7-8-5-6-10-9-3-1-2-4-11(9)16-13(10)12(8)15/h2,4-6H,1,3,15H2
InChIKeyAWMGCNPEFPFXQD-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.85
Rot. Bonds

About 4-amino-8,9-dihydrodibenzofuran-3-carbonitrile

4-amino-8,9-dihydrodibenzofuran-3-carbonitrile (PubChem CID 163438436) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-amino-8,9-dihydrodibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name4-amino-8,9-dihydrodibenzofuran-3-carbonitrile
PubChem CID163438436
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4-amino-8,9-dihydrodibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c3c(oc2c1N)C=CCC3
InChIInChI=1S/C13H10N2O/c14-7-8-5-6-10-9-3-1-2-4-11(9)16-13(10)12(8)15/h2,4-6H,1,3,15H2
InChIKeyAWMGCNPEFPFXQD-UHFFFAOYSA-N
XLogP2.85
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8,9-dihydrodibenzofuran-3-carbonitrile?
The IUPAC name of 4-amino-8,9-dihydrodibenzofuran-3-carbonitrile (CID 163438436) is 4-amino-8,9-dihydrodibenzofuran-3-carbonitrile.
What is the SMILES notation for 4-amino-8,9-dihydrodibenzofuran-3-carbonitrile?
The canonical SMILES for 4-amino-8,9-dihydrodibenzofuran-3-carbonitrile is N#Cc1ccc2c3c(oc2c1N)C=CCC3.
What is the InChIKey of 4-amino-8,9-dihydrodibenzofuran-3-carbonitrile?
The InChIKey is AWMGCNPEFPFXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-7-8-5-6-10-9-3-1-2-4-11(9)16-13(10)12(8)15/h2,4-6H,1,3,15H2.
What are the key properties of 4-amino-8,9-dihydrodibenzofuran-3-carbonitrile?
4-amino-8,9-dihydrodibenzofuran-3-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8,9-dihydrodibenzofuran-3-carbonitrile is sourced from PubChem (CID 163438436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).