2-[(E)-2-nitroethenyl]furan

C6H5NO3 — CID 687331

IUPAC2-[(E)-2-nitroethenyl]furan
SMILESO=[N+]([O-])/C=C/c1ccco1
InChIInChI=1S/C6H5NO3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+
InChIKeyWVUICGOYGDHVBH-ONEGZZNKSA-N
MW139.11 g/mol
LogP1.53
Rot. Bonds2

About 2-[(E)-2-nitroethenyl]furan

2-[(E)-2-nitroethenyl]furan (PubChem CID 687331) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 2-[(E)-2-nitroethenyl]furan.

Molecular Properties

Compound Name2-[(E)-2-nitroethenyl]furan
PubChem CID687331
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name2-[(E)-2-nitroethenyl]furan
SMILESO=[N+]([O-])/C=C/c1ccco1
InChIInChI=1S/C6H5NO3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+
InChIKeyWVUICGOYGDHVBH-ONEGZZNKSA-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-[(E)-2-nitroethenyl]furan?
The IUPAC name of 2-[(E)-2-nitroethenyl]furan (CID 687331) is 2-[(E)-2-nitroethenyl]furan.
What is the SMILES notation for 2-[(E)-2-nitroethenyl]furan?
The canonical SMILES for 2-[(E)-2-nitroethenyl]furan is O=[N+]([O-])/C=C/c1ccco1.
What is the InChIKey of 2-[(E)-2-nitroethenyl]furan?
The InChIKey is WVUICGOYGDHVBH-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H5NO3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+.
What are the key properties of 2-[(E)-2-nitroethenyl]furan?
2-[(E)-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-[(E)-2-nitroethenyl]furan is sourced from PubChem (CID 687331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).