2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole

C9H7N3O3 — CID 23274017

IUPAC2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole
SMILESO=[N+]([O-])c1ccc(/C=C\c2ncc[nH]2)o1
InChIInChI=1S/C9H7N3O3/c13-12(14)9-4-2-7(15-9)1-3-8-10-5-6-11-8/h1-6H,(H,10,11)/b3-1-
InChIKeyJAHFQTJMEWJODS-IWQZZHSRSA-N
MW205.17 g/mol
LogP2.08
Rot. Bonds3

About 2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole

2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole (PubChem CID 23274017) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole
PubChem CID23274017
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole
SMILESO=[N+]([O-])c1ccc(/C=C\c2ncc[nH]2)o1
InChIInChI=1S/C9H7N3O3/c13-12(14)9-4-2-7(15-9)1-3-8-10-5-6-11-8/h1-6H,(H,10,11)/b3-1-
InChIKeyJAHFQTJMEWJODS-IWQZZHSRSA-N
XLogP2.08
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
CID 86023507
4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
CID 131858262
2-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyrimidine
CID 121223245
5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine
CID 102309944
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline
CID 5376326
azane;5-nitrofuran-2-carbaldehyde
CID 174516774

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole?
The IUPAC name of 2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole (CID 23274017) is 2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole.
What is the SMILES notation for 2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole?
The canonical SMILES for 2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole is O=[N+]([O-])c1ccc(/C=C\c2ncc[nH]2)o1.
What is the InChIKey of 2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole?
The InChIKey is JAHFQTJMEWJODS-IWQZZHSRSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-12(14)9-4-2-7(15-9)1-3-8-10-5-6-11-8/h1-6H,(H,10,11)/b3-1-.
What are the key properties of 2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole?
2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole has a molecular weight of 205.17 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole is sourced from PubChem (CID 23274017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).