3-methoxy-2-nitrofuran

C5H5NO4 — CID 18551961

IUPAC3-methoxy-2-nitrofuran
SMILESCOc1ccoc1[N+](=O)[O-]
InChIInChI=1S/C5H5NO4/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3
InChIKeyIHZYWWOCXLDLNJ-UHFFFAOYSA-N
MW143.10 g/mol
LogP1.20
Rot. Bonds2

About 3-methoxy-2-nitrofuran

3-methoxy-2-nitrofuran (PubChem CID 18551961) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is 3-methoxy-2-nitrofuran.

Molecular Properties

Compound Name3-methoxy-2-nitrofuran
PubChem CID18551961
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC Name3-methoxy-2-nitrofuran
SMILESCOc1ccoc1[N+](=O)[O-]
InChIInChI=1S/C5H5NO4/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3
InChIKeyIHZYWWOCXLDLNJ-UHFFFAOYSA-N
XLogP1.20
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 51.20
H-Bond Donors ≤ 50
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 3-methoxy-2-nitrofuran?
The IUPAC name of 3-methoxy-2-nitrofuran (CID 18551961) is 3-methoxy-2-nitrofuran.
What is the SMILES notation for 3-methoxy-2-nitrofuran?
The canonical SMILES for 3-methoxy-2-nitrofuran is COc1ccoc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-2-nitrofuran?
The InChIKey is IHZYWWOCXLDLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3.
What are the key properties of 3-methoxy-2-nitrofuran?
3-methoxy-2-nitrofuran has a molecular weight of 143.10 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-nitrofuran is sourced from PubChem (CID 18551961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).