5-(2-nitroethenyl)-1H-imidazole

C5H5N3O2 — CID 54388716

IUPAC5-(2-nitroethenyl)-1H-imidazole
SMILESO=[N+]([O-])C=Cc1cnc[nH]1
InChIInChI=1S/C5H5N3O2/c9-8(10)2-1-5-3-6-4-7-5/h1-4H,(H,6,7)
InChIKeyVFCANXAVQUKARJ-UHFFFAOYSA-N
MW139.11 g/mol
LogP0.66
Rot. Bonds2

About 5-(2-nitroethenyl)-1H-imidazole

5-(2-nitroethenyl)-1H-imidazole (PubChem CID 54388716) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 5-(2-nitroethenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-nitroethenyl)-1H-imidazole
PubChem CID54388716
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name5-(2-nitroethenyl)-1H-imidazole
SMILESO=[N+]([O-])C=Cc1cnc[nH]1
InChIInChI=1S/C5H5N3O2/c9-8(10)2-1-5-3-6-4-7-5/h1-4H,(H,6,7)
InChIKeyVFCANXAVQUKARJ-UHFFFAOYSA-N
XLogP0.66
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 50.66
H-Bond Donors ≤ 51
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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Related Compounds

1-ME-2-NO2-5-Vinyl imidazole
CID 93215
4-ethenyl-1H-imidazole
CID 271079
Imidazolyl-4-allylamine
CID 6438855
[2-(1H-Imidazol-4-yl)-ethyl]-(4-nitro-1-oxy-pyridin-2-yl)-amine
CID 10106097
5-[(E)-3-aminoprop-1-enyl]-1H-imidazol-2-amine
CID 10820593
Imidazole, 4-methyl-2-nitro-, mixed with 5-methyl-2-nitroimidazole (1:1)
CID 21274
Imidazole, 4-ethyl-2-nitro-, mixed with 5-ethyl-2-nitroimidazole (1:1)
CID 88922
(NZ)-N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine
CID 135830877
(Z)-3-(1H-imidazol-5-yl)prop-2-en-1-amine
CID 14983630
1-methyl-2-nitro-5-[(E)-2-nitroethenyl]imidazole
CID 12348489
5-(3-aminoprop-1-enyl)-1H-imidazol-2-amine
CID 54505519
5-[(E)-2-nitroethenyl]-1H-imidazole hydrochloride
CID 132398702

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitroethenyl)-1H-imidazole?
The IUPAC name of 5-(2-nitroethenyl)-1H-imidazole (CID 54388716) is 5-(2-nitroethenyl)-1H-imidazole.
What is the SMILES notation for 5-(2-nitroethenyl)-1H-imidazole?
The canonical SMILES for 5-(2-nitroethenyl)-1H-imidazole is O=[N+]([O-])C=Cc1cnc[nH]1.
What is the InChIKey of 5-(2-nitroethenyl)-1H-imidazole?
The InChIKey is VFCANXAVQUKARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c9-8(10)2-1-5-3-6-4-7-5/h1-4H,(H,6,7).
What are the key properties of 5-(2-nitroethenyl)-1H-imidazole?
5-(2-nitroethenyl)-1H-imidazole has a molecular weight of 139.11 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitroethenyl)-1H-imidazole is sourced from PubChem (CID 54388716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).