5-amino-2,4-diphenylfuran-3-carbonitrile

C17H12N2O — CID 12764530

IUPAC5-amino-2,4-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)oc(N)c1-c1ccccc1
InChIInChI=1S/C17H12N2O/c18-11-14-15(12-7-3-1-4-8-12)17(19)20-16(14)13-9-5-2-6-10-13/h1-10H,19H2
InChIKeyKGJJEIXEIVUVPO-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.07
Rot. Bonds2

About 5-amino-2,4-diphenylfuran-3-carbonitrile

5-amino-2,4-diphenylfuran-3-carbonitrile (PubChem CID 12764530) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-2,4-diphenylfuran-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2,4-diphenylfuran-3-carbonitrile
PubChem CID12764530
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name5-amino-2,4-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)oc(N)c1-c1ccccc1
InChIInChI=1S/C17H12N2O/c18-11-14-15(12-7-3-1-4-8-12)17(19)20-16(14)13-9-5-2-6-10-13/h1-10H,19H2
InChIKeyKGJJEIXEIVUVPO-UHFFFAOYSA-N
XLogP4.07
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-diphenylfuran-3-carbonitrile?
The IUPAC name of 5-amino-2,4-diphenylfuran-3-carbonitrile (CID 12764530) is 5-amino-2,4-diphenylfuran-3-carbonitrile.
What is the SMILES notation for 5-amino-2,4-diphenylfuran-3-carbonitrile?
The canonical SMILES for 5-amino-2,4-diphenylfuran-3-carbonitrile is N#Cc1c(-c2ccccc2)oc(N)c1-c1ccccc1.
What is the InChIKey of 5-amino-2,4-diphenylfuran-3-carbonitrile?
The InChIKey is KGJJEIXEIVUVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c18-11-14-15(12-7-3-1-4-8-12)17(19)20-16(14)13-9-5-2-6-10-13/h1-10H,19H2.
What are the key properties of 5-amino-2,4-diphenylfuran-3-carbonitrile?
5-amino-2,4-diphenylfuran-3-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-diphenylfuran-3-carbonitrile is sourced from PubChem (CID 12764530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).