methanol;3-nitrofuran

C5H7NO4 — CID 146424856

IUPACmethanol;3-nitrofuran
SMILESCO.O=[N+]([O-])c1ccoc1
InChIInChI=1S/C4H3NO3.CH4O/c6-5(7)4-1-2-8-3-4;1-2/h1-3H;2H,1H3
InChIKeyIWLBYAJNRHMACE-UHFFFAOYSA-N
MW145.11 g/mol
LogP0.80
Rot. Bonds1

About methanol;3-nitrofuran

methanol;3-nitrofuran (PubChem CID 146424856) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is methanol;3-nitrofuran.

Molecular Properties

Compound Namemethanol;3-nitrofuran
PubChem CID146424856
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Namemethanol;3-nitrofuran
SMILESCO.O=[N+]([O-])c1ccoc1
InChIInChI=1S/C4H3NO3.CH4O/c6-5(7)4-1-2-8-3-4;1-2/h1-3H;2H,1H3
InChIKeyIWLBYAJNRHMACE-UHFFFAOYSA-N
XLogP0.80
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanol;3-nitrofuran?
The IUPAC name of methanol;3-nitrofuran (CID 146424856) is methanol;3-nitrofuran.
What is the SMILES notation for methanol;3-nitrofuran?
The canonical SMILES for methanol;3-nitrofuran is CO.O=[N+]([O-])c1ccoc1.
What is the InChIKey of methanol;3-nitrofuran?
The InChIKey is IWLBYAJNRHMACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3.CH4O/c6-5(7)4-1-2-8-3-4;1-2/h1-3H;2H,1H3.
What are the key properties of methanol;3-nitrofuran?
methanol;3-nitrofuran has a molecular weight of 145.11 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-nitrofuran is sourced from PubChem (CID 146424856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).