2-(2-nitroethenyl)furan

C6H5NO3 — CID 12781

IUPAC2-(2-nitroethenyl)furan
SMILESO=[N+]([O-])C=Cc1ccco1
InChIInChI=1S/C6H5NO3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H
InChIKeyWVUICGOYGDHVBH-UHFFFAOYSA-N
MW139.11 g/mol
LogP1.53
Rot. Bonds2

About 2-(2-nitroethenyl)furan

2-(2-nitroethenyl)furan (PubChem CID 12781) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 2-(2-nitroethenyl)furan.

Molecular Properties

Compound Name2-(2-nitroethenyl)furan
PubChem CID12781
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name2-(2-nitroethenyl)furan
SMILESO=[N+]([O-])C=Cc1ccco1
InChIInChI=1S/C6H5NO3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H
InChIKeyWVUICGOYGDHVBH-UHFFFAOYSA-N
XLogP1.53
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2-nitroethenyl)furan?
The IUPAC name of 2-(2-nitroethenyl)furan (CID 12781) is 2-(2-nitroethenyl)furan.
What is the SMILES notation for 2-(2-nitroethenyl)furan?
The canonical SMILES for 2-(2-nitroethenyl)furan is O=[N+]([O-])C=Cc1ccco1.
What is the InChIKey of 2-(2-nitroethenyl)furan?
The InChIKey is WVUICGOYGDHVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H.
What are the key properties of 2-(2-nitroethenyl)furan?
2-(2-nitroethenyl)furan has a molecular weight of 139.11 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroethenyl)furan is sourced from PubChem (CID 12781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).