2-amino-4-ethylfuran-3-carbonitrile

C7H8N2O — CID 3536585

IUPAC2-amino-4-ethylfuran-3-carbonitrile
SMILESCCc1coc(N)c1C#N
InChIInChI=1S/C7H8N2O/c1-2-5-4-10-7(9)6(5)3-8/h4H,2,9H2,1H3
InChIKeyRYYCYHVAASCEKV-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.30
Rot. Bonds1

About 2-amino-4-ethylfuran-3-carbonitrile

2-amino-4-ethylfuran-3-carbonitrile (PubChem CID 3536585) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-amino-4-ethylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-ethylfuran-3-carbonitrile
PubChem CID3536585
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2-amino-4-ethylfuran-3-carbonitrile
SMILESCCc1coc(N)c1C#N
InChIInChI=1S/C7H8N2O/c1-2-5-4-10-7(9)6(5)3-8/h4H,2,9H2,1H3
InChIKeyRYYCYHVAASCEKV-UHFFFAOYSA-N
XLogP1.30
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethylfuran-3-carbonitrile?
The IUPAC name of 2-amino-4-ethylfuran-3-carbonitrile (CID 3536585) is 2-amino-4-ethylfuran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-ethylfuran-3-carbonitrile?
The canonical SMILES for 2-amino-4-ethylfuran-3-carbonitrile is CCc1coc(N)c1C#N.
What is the InChIKey of 2-amino-4-ethylfuran-3-carbonitrile?
The InChIKey is RYYCYHVAASCEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-5-4-10-7(9)6(5)3-8/h4H,2,9H2,1H3.
What are the key properties of 2-amino-4-ethylfuran-3-carbonitrile?
2-amino-4-ethylfuran-3-carbonitrile has a molecular weight of 136.15 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethylfuran-3-carbonitrile is sourced from PubChem (CID 3536585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).