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

C8H8N2O2 — CID 5243294

IUPAC4-acetyl-5-amino-2-methylfuran-3-carbonitrile
SMILESCC(=O)c1c(N)oc(C)c1C#N
InChIInChI=1S/C8H8N2O2/c1-4(11)7-6(3-9)5(2)12-8(7)10/h10H2,1-2H3
InChIKeyBZWWXTHGHDJJID-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.24
Rot. Bonds1

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

4-acetyl-5-amino-2-methylfuran-3-carbonitrile (PubChem CID 5243294) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4-acetyl-5-amino-2-methylfuran-3-carbonitrile.

Molecular Properties

Compound Name4-acetyl-5-amino-2-methylfuran-3-carbonitrile
PubChem CID5243294
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name4-acetyl-5-amino-2-methylfuran-3-carbonitrile
SMILESCC(=O)c1c(N)oc(C)c1C#N
InChIInChI=1S/C8H8N2O2/c1-4(11)7-6(3-9)5(2)12-8(7)10/h10H2,1-2H3
InChIKeyBZWWXTHGHDJJID-UHFFFAOYSA-N
XLogP1.24
TPSA80.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-amino-2-methylfuran-3-carbonitrile?
The IUPAC name of 4-acetyl-5-amino-2-methylfuran-3-carbonitrile (CID 5243294) is 4-acetyl-5-amino-2-methylfuran-3-carbonitrile.
What is the SMILES notation for 4-acetyl-5-amino-2-methylfuran-3-carbonitrile?
The canonical SMILES for 4-acetyl-5-amino-2-methylfuran-3-carbonitrile is CC(=O)c1c(N)oc(C)c1C#N.
What is the InChIKey of 4-acetyl-5-amino-2-methylfuran-3-carbonitrile?
The InChIKey is BZWWXTHGHDJJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-4(11)7-6(3-9)5(2)12-8(7)10/h10H2,1-2H3.
What are the key properties of 4-acetyl-5-amino-2-methylfuran-3-carbonitrile?
4-acetyl-5-amino-2-methylfuran-3-carbonitrile has a molecular weight of 164.16 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-amino-2-methylfuran-3-carbonitrile is sourced from PubChem (CID 5243294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).