2-amino-5-(4-cyanophenyl)furan-3-carbonitrile

C12H7N3O — CID 83447922

IUPAC2-amino-5-(4-cyanophenyl)furan-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(C#N)c(N)o2)cc1
InChIInChI=1S/C12H7N3O/c13-6-8-1-3-9(4-2-8)11-5-10(7-14)12(15)16-11/h1-5H,15H2
InChIKeyVDLZSFZTHWCMFB-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.27
Rot. Bonds1

About 2-amino-5-(4-cyanophenyl)furan-3-carbonitrile

2-amino-5-(4-cyanophenyl)furan-3-carbonitrile (PubChem CID 83447922) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-5-(4-cyanophenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(4-cyanophenyl)furan-3-carbonitrile
PubChem CID83447922
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Name2-amino-5-(4-cyanophenyl)furan-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(C#N)c(N)o2)cc1
InChIInChI=1S/C12H7N3O/c13-6-8-1-3-9(4-2-8)11-5-10(7-14)12(15)16-11/h1-5H,15H2
InChIKeyVDLZSFZTHWCMFB-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-(4-cyanophenyl)furan-3-carbonitrile?
The IUPAC name of 2-amino-5-(4-cyanophenyl)furan-3-carbonitrile (CID 83447922) is 2-amino-5-(4-cyanophenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(4-cyanophenyl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-5-(4-cyanophenyl)furan-3-carbonitrile is N#Cc1ccc(-c2cc(C#N)c(N)o2)cc1.
What is the InChIKey of 2-amino-5-(4-cyanophenyl)furan-3-carbonitrile?
The InChIKey is VDLZSFZTHWCMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c13-6-8-1-3-9(4-2-8)11-5-10(7-14)12(15)16-11/h1-5H,15H2.
What are the key properties of 2-amino-5-(4-cyanophenyl)furan-3-carbonitrile?
2-amino-5-(4-cyanophenyl)furan-3-carbonitrile 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-(4-cyanophenyl)furan-3-carbonitrile is sourced from PubChem (CID 83447922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).