5-(2-nitroethenyl)-1-benzofuran

C10H7NO3 — CID 142472915

IUPAC5-(2-nitroethenyl)-1-benzofuran
SMILESO=[N+]([O-])C=Cc1ccc2occc2c1
InChIInChI=1S/C10H7NO3/c12-11(13)5-3-8-1-2-10-9(7-8)4-6-14-10/h1-7H
InChIKeyZXTOZDCUHYVDJV-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.68
Rot. Bonds2

About 5-(2-nitroethenyl)-1-benzofuran

5-(2-nitroethenyl)-1-benzofuran (PubChem CID 142472915) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 5-(2-nitroethenyl)-1-benzofuran.

Molecular Properties

Compound Name5-(2-nitroethenyl)-1-benzofuran
PubChem CID142472915
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name5-(2-nitroethenyl)-1-benzofuran
SMILESO=[N+]([O-])C=Cc1ccc2occc2c1
InChIInChI=1S/C10H7NO3/c12-11(13)5-3-8-1-2-10-9(7-8)4-6-14-10/h1-7H
InChIKeyZXTOZDCUHYVDJV-UHFFFAOYSA-N
XLogP2.68
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.68
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 5-(2-nitroethenyl)-1-benzofuran?
The IUPAC name of 5-(2-nitroethenyl)-1-benzofuran (CID 142472915) is 5-(2-nitroethenyl)-1-benzofuran.
What is the SMILES notation for 5-(2-nitroethenyl)-1-benzofuran?
The canonical SMILES for 5-(2-nitroethenyl)-1-benzofuran is O=[N+]([O-])C=Cc1ccc2occc2c1.
What is the InChIKey of 5-(2-nitroethenyl)-1-benzofuran?
The InChIKey is ZXTOZDCUHYVDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-11(13)5-3-8-1-2-10-9(7-8)4-6-14-10/h1-7H.
What are the key properties of 5-(2-nitroethenyl)-1-benzofuran?
5-(2-nitroethenyl)-1-benzofuran has a molecular weight of 189.17 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitroethenyl)-1-benzofuran is sourced from PubChem (CID 142472915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).