2-amino-4-phenylfuran-3-carbonitrile

C11H8N2O — CID 11789888

IUPAC2-amino-4-phenylfuran-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)coc1N
InChIInChI=1S/C11H8N2O/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7H,13H2
InChIKeyQNGBQONBZBPFQI-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.40
Rot. Bonds1

About 2-amino-4-phenylfuran-3-carbonitrile

2-amino-4-phenylfuran-3-carbonitrile (PubChem CID 11789888) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-amino-4-phenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenylfuran-3-carbonitrile
PubChem CID11789888
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-amino-4-phenylfuran-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)coc1N
InChIInChI=1S/C11H8N2O/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7H,13H2
InChIKeyQNGBQONBZBPFQI-UHFFFAOYSA-N
XLogP2.40
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylfuran-3-carbonitrile?
The IUPAC name of 2-amino-4-phenylfuran-3-carbonitrile (CID 11789888) is 2-amino-4-phenylfuran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-phenylfuran-3-carbonitrile?
The canonical SMILES for 2-amino-4-phenylfuran-3-carbonitrile is N#Cc1c(-c2ccccc2)coc1N.
What is the InChIKey of 2-amino-4-phenylfuran-3-carbonitrile?
The InChIKey is QNGBQONBZBPFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7H,13H2.
What are the key properties of 2-amino-4-phenylfuran-3-carbonitrile?
2-amino-4-phenylfuran-3-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylfuran-3-carbonitrile is sourced from PubChem (CID 11789888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).