2-amino-5-phenylfuran-3,4-dicarbonitrile

C12H7N3O — CID 13025873

IUPAC2-amino-5-phenylfuran-3,4-dicarbonitrile
SMILESN#Cc1c(N)oc(-c2ccccc2)c1C#N
InChIInChI=1S/C12H7N3O/c13-6-9-10(7-14)12(15)16-11(9)8-4-2-1-3-5-8/h1-5H,15H2
InChIKeyRQWXQXIUXSFKOM-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.27
Rot. Bonds1

About 2-amino-5-phenylfuran-3,4-dicarbonitrile

2-amino-5-phenylfuran-3,4-dicarbonitrile (PubChem CID 13025873) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-5-phenylfuran-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-amino-5-phenylfuran-3,4-dicarbonitrile
PubChem CID13025873
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Name2-amino-5-phenylfuran-3,4-dicarbonitrile
SMILESN#Cc1c(N)oc(-c2ccccc2)c1C#N
InChIInChI=1S/C12H7N3O/c13-6-9-10(7-14)12(15)16-11(9)8-4-2-1-3-5-8/h1-5H,15H2
InChIKeyRQWXQXIUXSFKOM-UHFFFAOYSA-N
XLogP2.27
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenylfuran-3,4-dicarbonitrile?
The IUPAC name of 2-amino-5-phenylfuran-3,4-dicarbonitrile (CID 13025873) is 2-amino-5-phenylfuran-3,4-dicarbonitrile.
What is the SMILES notation for 2-amino-5-phenylfuran-3,4-dicarbonitrile?
The canonical SMILES for 2-amino-5-phenylfuran-3,4-dicarbonitrile is N#Cc1c(N)oc(-c2ccccc2)c1C#N.
What is the InChIKey of 2-amino-5-phenylfuran-3,4-dicarbonitrile?
The InChIKey is RQWXQXIUXSFKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c13-6-9-10(7-14)12(15)16-11(9)8-4-2-1-3-5-8/h1-5H,15H2.
What are the key properties of 2-amino-5-phenylfuran-3,4-dicarbonitrile?
2-amino-5-phenylfuran-3,4-dicarbonitrile has a molecular weight of 209.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenylfuran-3,4-dicarbonitrile is sourced from PubChem (CID 13025873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).