3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one

C6H7NO3 — CID 135604536

IUPAC3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one
SMILESC/N=C/C1=C(O)COC1=O
InChIInChI=1S/C6H7NO3/c1-7-2-4-5(8)3-10-6(4)9/h2,8H,3H2,1H3/b7-2+
InChIKeyFODZHTLDBRRDEF-FARCUNLSSA-N
MW141.13 g/mol
LogP0.06
Rot. Bonds1

About 3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one

3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one (PubChem CID 135604536) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one
PubChem CID135604536
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one
SMILESC/N=C/C1=C(O)COC1=O
InChIInChI=1S/C6H7NO3/c1-7-2-4-5(8)3-10-6(4)9/h2,8H,3H2,1H3/b7-2+
InChIKeyFODZHTLDBRRDEF-FARCUNLSSA-N
XLogP0.06
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one?
The IUPAC name of 3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one (CID 135604536) is 3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one is C/N=C/C1=C(O)COC1=O.
What is the InChIKey of 3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one?
The InChIKey is FODZHTLDBRRDEF-FARCUNLSSA-N. The full InChI is InChI=1S/C6H7NO3/c1-7-2-4-5(8)3-10-6(4)9/h2,8H,3H2,1H3/b7-2+.
What are the key properties of 3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one?
3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one has a molecular weight of 141.13 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(methyliminomethyl)-2H-furan-5-one is sourced from PubChem (CID 135604536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).