2-[(E)-2-nitrobut-1-enyl]furan

C8H9NO3 — CID 11019234

IUPAC2-[(E)-2-nitrobut-1-enyl]furan
SMILESCC/C(=C\c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C8H9NO3/c1-2-7(9(10)11)6-8-4-3-5-12-8/h3-6H,2H2,1H3/b7-6+
InChIKeyABXBDFAVAMWLLY-VOTSOKGWSA-N
MW167.16 g/mol
LogP2.31
Rot. Bonds3

About 2-[(E)-2-nitrobut-1-enyl]furan

2-[(E)-2-nitrobut-1-enyl]furan (PubChem CID 11019234) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-[(E)-2-nitrobut-1-enyl]furan.

Molecular Properties

Compound Name2-[(E)-2-nitrobut-1-enyl]furan
PubChem CID11019234
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-[(E)-2-nitrobut-1-enyl]furan
SMILESCC/C(=C\c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C8H9NO3/c1-2-7(9(10)11)6-8-4-3-5-12-8/h3-6H,2H2,1H3/b7-6+
InChIKeyABXBDFAVAMWLLY-VOTSOKGWSA-N
XLogP2.31
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 52.31
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-nitrobut-1-enyl]furan?
The IUPAC name of 2-[(E)-2-nitrobut-1-enyl]furan (CID 11019234) is 2-[(E)-2-nitrobut-1-enyl]furan.
What is the SMILES notation for 2-[(E)-2-nitrobut-1-enyl]furan?
The canonical SMILES for 2-[(E)-2-nitrobut-1-enyl]furan is CC/C(=C\c1ccco1)[N+](=O)[O-].
What is the InChIKey of 2-[(E)-2-nitrobut-1-enyl]furan?
The InChIKey is ABXBDFAVAMWLLY-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-7(9(10)11)6-8-4-3-5-12-8/h3-6H,2H2,1H3/b7-6+.
What are the key properties of 2-[(E)-2-nitrobut-1-enyl]furan?
2-[(E)-2-nitrobut-1-enyl]furan has a molecular weight of 167.16 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-nitrobut-1-enyl]furan is sourced from PubChem (CID 11019234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).