5-methoxyfuran-3-amine

C5H7NO2 — CID 69333956

IUPAC5-methoxyfuran-3-amine
SMILESCOc1cc(N)co1
InChIInChI=1S/C5H7NO2/c1-7-5-2-4(6)3-8-5/h2-3H,6H2,1H3
InChIKeyUUPUDGCEZBPGHU-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.87
Rot. Bonds1

About 5-methoxyfuran-3-amine

5-methoxyfuran-3-amine (PubChem CID 69333956) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-methoxyfuran-3-amine.

Molecular Properties

Compound Name5-methoxyfuran-3-amine
PubChem CID69333956
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name5-methoxyfuran-3-amine
SMILESCOc1cc(N)co1
InChIInChI=1S/C5H7NO2/c1-7-5-2-4(6)3-8-5/h2-3H,6H2,1H3
InChIKeyUUPUDGCEZBPGHU-UHFFFAOYSA-N
XLogP0.87
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyfuran-3-amine?
The IUPAC name of 5-methoxyfuran-3-amine (CID 69333956) is 5-methoxyfuran-3-amine.
What is the SMILES notation for 5-methoxyfuran-3-amine?
The canonical SMILES for 5-methoxyfuran-3-amine is COc1cc(N)co1.
What is the InChIKey of 5-methoxyfuran-3-amine?
The InChIKey is UUPUDGCEZBPGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-7-5-2-4(6)3-8-5/h2-3H,6H2,1H3.
What are the key properties of 5-methoxyfuran-3-amine?
5-methoxyfuran-3-amine has a molecular weight of 113.12 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyfuran-3-amine is sourced from PubChem (CID 69333956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).