2-amino-4-(furan-2-yl)furan-3-carbonitrile

C9H6N2O2 — CID 22145328

IUPAC2-amino-4-(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)coc1N
InChIInChI=1S/C9H6N2O2/c10-4-6-7(5-13-9(6)11)8-2-1-3-12-8/h1-3,5H,11H2
InChIKeyTXVUJZXHEABEST-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.99
Rot. Bonds1

About 2-amino-4-(furan-2-yl)furan-3-carbonitrile

2-amino-4-(furan-2-yl)furan-3-carbonitrile (PubChem CID 22145328) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)furan-3-carbonitrile
PubChem CID22145328
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name2-amino-4-(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)coc1N
InChIInChI=1S/C9H6N2O2/c10-4-6-7(5-13-9(6)11)8-2-1-3-12-8/h1-3,5H,11H2
InChIKeyTXVUJZXHEABEST-UHFFFAOYSA-N
XLogP1.99
TPSA76.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)furan-3-carbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)furan-3-carbonitrile (CID 22145328) is 2-amino-4-(furan-2-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)furan-3-carbonitrile is N#Cc1c(-c2ccco2)coc1N.
What is the InChIKey of 2-amino-4-(furan-2-yl)furan-3-carbonitrile?
The InChIKey is TXVUJZXHEABEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c10-4-6-7(5-13-9(6)11)8-2-1-3-12-8/h1-3,5H,11H2.
What are the key properties of 2-amino-4-(furan-2-yl)furan-3-carbonitrile?
2-amino-4-(furan-2-yl)furan-3-carbonitrile has a molecular weight of 174.16 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)furan-3-carbonitrile is sourced from PubChem (CID 22145328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).