4-acetyl-2-amino-5-phenylfuran-3-carbonitrile

C13H10N2O2 — CID 139846099

IUPAC4-acetyl-2-amino-5-phenylfuran-3-carbonitrile
SMILESCC(=O)c1c(-c2ccccc2)oc(N)c1C#N
InChIInChI=1S/C13H10N2O2/c1-8(16)11-10(7-14)13(15)17-12(11)9-5-3-2-4-6-9/h2-6H,15H2,1H3
InChIKeyFAWAZXRAGXIZFP-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.60
Rot. Bonds2

About 4-acetyl-2-amino-5-phenylfuran-3-carbonitrile

4-acetyl-2-amino-5-phenylfuran-3-carbonitrile (PubChem CID 139846099) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-acetyl-2-amino-5-phenylfuran-3-carbonitrile.

Molecular Properties

Compound Name4-acetyl-2-amino-5-phenylfuran-3-carbonitrile
PubChem CID139846099
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-acetyl-2-amino-5-phenylfuran-3-carbonitrile
SMILESCC(=O)c1c(-c2ccccc2)oc(N)c1C#N
InChIInChI=1S/C13H10N2O2/c1-8(16)11-10(7-14)13(15)17-12(11)9-5-3-2-4-6-9/h2-6H,15H2,1H3
InChIKeyFAWAZXRAGXIZFP-UHFFFAOYSA-N
XLogP2.60
TPSA80.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-amino-5-phenylfuran-3-carbonitrile?
The IUPAC name of 4-acetyl-2-amino-5-phenylfuran-3-carbonitrile (CID 139846099) is 4-acetyl-2-amino-5-phenylfuran-3-carbonitrile.
What is the SMILES notation for 4-acetyl-2-amino-5-phenylfuran-3-carbonitrile?
The canonical SMILES for 4-acetyl-2-amino-5-phenylfuran-3-carbonitrile is CC(=O)c1c(-c2ccccc2)oc(N)c1C#N.
What is the InChIKey of 4-acetyl-2-amino-5-phenylfuran-3-carbonitrile?
The InChIKey is FAWAZXRAGXIZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8(16)11-10(7-14)13(15)17-12(11)9-5-3-2-4-6-9/h2-6H,15H2,1H3.
What are the key properties of 4-acetyl-2-amino-5-phenylfuran-3-carbonitrile?
4-acetyl-2-amino-5-phenylfuran-3-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-amino-5-phenylfuran-3-carbonitrile is sourced from PubChem (CID 139846099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).