4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium

C10H10N3+ — CID 102403490

IUPAC4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium
SMILESC(=C/c1ncc[nH]1)\c1cc[nH+]cc1
InChIInChI=1S/C10H9N3/c1(2-10-12-7-8-13-10)9-3-5-11-6-4-9/h1-8H,(H,12,13)/p+1/b2-1+
InChIKeyVMHSXUNWPPTOGN-OWOJBTEDSA-O
MW172.21 g/mol
LogP1.39
Rot. Bonds2

About 4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium

4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium (PubChem CID 102403490) has the molecular formula C10H10N3+ and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium.

Molecular Properties

Compound Name4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium
PubChem CID102403490
Molecular FormulaC10H10N3+
Molecular Weight172.21 g/mol
Exact Mass172.09
IUPAC Name4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium
SMILESC(=C/c1ncc[nH]1)\c1cc[nH+]cc1
InChIInChI=1S/C10H9N3/c1(2-10-12-7-8-13-10)9-3-5-11-6-4-9/h1-8H,(H,12,13)/p+1/b2-1+
InChIKeyVMHSXUNWPPTOGN-OWOJBTEDSA-O
XLogP1.39
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium?
The IUPAC name of 4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium (CID 102403490) is 4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium.
What is the SMILES notation for 4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium?
The canonical SMILES for 4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium is C(=C/c1ncc[nH]1)\c1cc[nH+]cc1.
What is the InChIKey of 4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium?
The InChIKey is VMHSXUNWPPTOGN-OWOJBTEDSA-O. The full InChI is InChI=1S/C10H9N3/c1(2-10-12-7-8-13-10)9-3-5-11-6-4-9/h1-8H,(H,12,13)/p+1/b2-1+.
What are the key properties of 4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium?
4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium has a molecular weight of 172.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium is sourced from PubChem (CID 102403490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).