2-amino-2H-furan-5-one

C4H5NO2 — CID 55284229

IUPAC2-amino-2H-furan-5-one
SMILESNC1C=CC(=O)O1
InChIInChI=1S/C4H5NO2/c5-3-1-2-4(6)7-3/h1-3H,5H2
InChIKeyJWXMVJRAFLUMBC-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.62
Rot. Bonds

About 2-amino-2H-furan-5-one

2-amino-2H-furan-5-one (PubChem CID 55284229) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 2-amino-2H-furan-5-one.

Molecular Properties

Compound Name2-amino-2H-furan-5-one
PubChem CID55284229
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name2-amino-2H-furan-5-one
SMILESNC1C=CC(=O)O1
InChIInChI=1S/C4H5NO2/c5-3-1-2-4(6)7-3/h1-3H,5H2
InChIKeyJWXMVJRAFLUMBC-UHFFFAOYSA-N
XLogP-0.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2H-furan-5-one?
The IUPAC name of 2-amino-2H-furan-5-one (CID 55284229) is 2-amino-2H-furan-5-one.
What is the SMILES notation for 2-amino-2H-furan-5-one?
The canonical SMILES for 2-amino-2H-furan-5-one is NC1C=CC(=O)O1.
What is the InChIKey of 2-amino-2H-furan-5-one?
The InChIKey is JWXMVJRAFLUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c5-3-1-2-4(6)7-3/h1-3H,5H2.
What are the key properties of 2-amino-2H-furan-5-one?
2-amino-2H-furan-5-one has a molecular weight of 99.09 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2H-furan-5-one is sourced from PubChem (CID 55284229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).