3-ethenyl-4-nitrofuran

C6H5NO3 — CID 91112899

IUPAC3-ethenyl-4-nitrofuran
SMILESC=Cc1cocc1[N+](=O)[O-]
InChIInChI=1S/C6H5NO3/c1-2-5-3-10-4-6(5)7(8)9/h2-4H,1H2
InChIKeyYTAARUXXVCKEGD-UHFFFAOYSA-N
MW139.11 g/mol
LogP1.83
Rot. Bonds2

About 3-ethenyl-4-nitrofuran

3-ethenyl-4-nitrofuran (PubChem CID 91112899) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 3-ethenyl-4-nitrofuran.

Molecular Properties

Compound Name3-ethenyl-4-nitrofuran
PubChem CID91112899
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name3-ethenyl-4-nitrofuran
SMILESC=Cc1cocc1[N+](=O)[O-]
InChIInChI=1S/C6H5NO3/c1-2-5-3-10-4-6(5)7(8)9/h2-4H,1H2
InChIKeyYTAARUXXVCKEGD-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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 3-ethenyl-4-nitrofuran?
The IUPAC name of 3-ethenyl-4-nitrofuran (CID 91112899) is 3-ethenyl-4-nitrofuran.
What is the SMILES notation for 3-ethenyl-4-nitrofuran?
The canonical SMILES for 3-ethenyl-4-nitrofuran is C=Cc1cocc1[N+](=O)[O-].
What is the InChIKey of 3-ethenyl-4-nitrofuran?
The InChIKey is YTAARUXXVCKEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c1-2-5-3-10-4-6(5)7(8)9/h2-4H,1H2.
What are the key properties of 3-ethenyl-4-nitrofuran?
3-ethenyl-4-nitrofuran has a molecular weight of 139.11 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-nitrofuran is sourced from PubChem (CID 91112899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).