2-ethyl-5-[(E)-2-nitroethenyl]furan

C8H9NO3 — CID 62347405

IUPAC2-ethyl-5-[(E)-2-nitroethenyl]furan
SMILESCCc1ccc(/C=C/[N+](=O)[O-])o1
InChIInChI=1S/C8H9NO3/c1-2-7-3-4-8(12-7)5-6-9(10)11/h3-6H,2H2,1H3/b6-5+
InChIKeyILEDURJXFBGAJB-AATRIKPKSA-N
MW167.16 g/mol
LogP2.09
Rot. Bonds3

About 2-ethyl-5-[(E)-2-nitroethenyl]furan

2-ethyl-5-[(E)-2-nitroethenyl]furan (PubChem CID 62347405) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-ethyl-5-[(E)-2-nitroethenyl]furan.

Molecular Properties

Compound Name2-ethyl-5-[(E)-2-nitroethenyl]furan
PubChem CID62347405
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-ethyl-5-[(E)-2-nitroethenyl]furan
SMILESCCc1ccc(/C=C/[N+](=O)[O-])o1
InChIInChI=1S/C8H9NO3/c1-2-7-3-4-8(12-7)5-6-9(10)11/h3-6H,2H2,1H3/b6-5+
InChIKeyILEDURJXFBGAJB-AATRIKPKSA-N
XLogP2.09
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 ≤ 52.09
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-ethyl-5-[(E)-2-nitroethenyl]furan?
The IUPAC name of 2-ethyl-5-[(E)-2-nitroethenyl]furan (CID 62347405) is 2-ethyl-5-[(E)-2-nitroethenyl]furan.
What is the SMILES notation for 2-ethyl-5-[(E)-2-nitroethenyl]furan?
The canonical SMILES for 2-ethyl-5-[(E)-2-nitroethenyl]furan is CCc1ccc(/C=C/[N+](=O)[O-])o1.
What is the InChIKey of 2-ethyl-5-[(E)-2-nitroethenyl]furan?
The InChIKey is ILEDURJXFBGAJB-AATRIKPKSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-7-3-4-8(12-7)5-6-9(10)11/h3-6H,2H2,1H3/b6-5+.
What are the key properties of 2-ethyl-5-[(E)-2-nitroethenyl]furan?
2-ethyl-5-[(E)-2-nitroethenyl]furan has a molecular weight of 167.16 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(E)-2-nitroethenyl]furan is sourced from PubChem (CID 62347405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).