2-aminofuran-3-carbaldehyde

C5H5NO2 — CID 87279973

IUPAC2-aminofuran-3-carbaldehyde
SMILESNc1occc1C=O
InChIInChI=1S/C5H5NO2/c6-5-4(3-7)1-2-8-5/h1-3H,6H2
InChIKeyJFJYETRLMKOFME-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.67
Rot. Bonds1

About 2-aminofuran-3-carbaldehyde

2-aminofuran-3-carbaldehyde (PubChem CID 87279973) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 2-aminofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-aminofuran-3-carbaldehyde
PubChem CID87279973
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name2-aminofuran-3-carbaldehyde
SMILESNc1occc1C=O
InChIInChI=1S/C5H5NO2/c6-5-4(3-7)1-2-8-5/h1-3H,6H2
InChIKeyJFJYETRLMKOFME-UHFFFAOYSA-N
XLogP0.67
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminofuran-3-carbaldehyde?
The IUPAC name of 2-aminofuran-3-carbaldehyde (CID 87279973) is 2-aminofuran-3-carbaldehyde.
What is the SMILES notation for 2-aminofuran-3-carbaldehyde?
The canonical SMILES for 2-aminofuran-3-carbaldehyde is Nc1occc1C=O.
What is the InChIKey of 2-aminofuran-3-carbaldehyde?
The InChIKey is JFJYETRLMKOFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c6-5-4(3-7)1-2-8-5/h1-3H,6H2.
What are the key properties of 2-aminofuran-3-carbaldehyde?
2-aminofuran-3-carbaldehyde has a molecular weight of 111.10 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminofuran-3-carbaldehyde is sourced from PubChem (CID 87279973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).