2-hydroxyfuran-3-carbonitrile

C5H3NO2 — CID 69332600

IUPAC2-hydroxyfuran-3-carbonitrile
SMILESN#Cc1ccoc1O
InChIInChI=1S/C5H3NO2/c6-3-4-1-2-8-5(4)7/h1-2,7H
InChIKeyLNEUQVDHMMTHDE-UHFFFAOYSA-N
MW109.08 g/mol
LogP0.86
Rot. Bonds

About 2-hydroxyfuran-3-carbonitrile

2-hydroxyfuran-3-carbonitrile (PubChem CID 69332600) has the molecular formula C5H3NO2 and a molecular weight of 109.08 g/mol. Its IUPAC name is 2-hydroxyfuran-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxyfuran-3-carbonitrile
PubChem CID69332600
Molecular FormulaC5H3NO2
Molecular Weight109.08 g/mol
Exact Mass109.02
IUPAC Name2-hydroxyfuran-3-carbonitrile
SMILESN#Cc1ccoc1O
InChIInChI=1S/C5H3NO2/c6-3-4-1-2-8-5(4)7/h1-2,7H
InChIKeyLNEUQVDHMMTHDE-UHFFFAOYSA-N
XLogP0.86
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.08
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyfuran-3-carbonitrile?
The IUPAC name of 2-hydroxyfuran-3-carbonitrile (CID 69332600) is 2-hydroxyfuran-3-carbonitrile.
What is the SMILES notation for 2-hydroxyfuran-3-carbonitrile?
The canonical SMILES for 2-hydroxyfuran-3-carbonitrile is N#Cc1ccoc1O.
What is the InChIKey of 2-hydroxyfuran-3-carbonitrile?
The InChIKey is LNEUQVDHMMTHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO2/c6-3-4-1-2-8-5(4)7/h1-2,7H.
What are the key properties of 2-hydroxyfuran-3-carbonitrile?
2-hydroxyfuran-3-carbonitrile has a molecular weight of 109.08 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyfuran-3-carbonitrile is sourced from PubChem (CID 69332600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).