(1-ethenylimidazol-2-yl) formate

C6H6N2O2 — CID 140908161

IUPAC(1-ethenylimidazol-2-yl) formate
SMILESC=Cn1ccnc1OC=O
InChIInChI=1S/C6H6N2O2/c1-2-8-4-3-7-6(8)10-5-9/h2-5H,1H2
InChIKeyUOPJJDWULNIVTK-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.52
Rot. Bonds3

About (1-ethenylimidazol-2-yl) formate

(1-ethenylimidazol-2-yl) formate (PubChem CID 140908161) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is (1-ethenylimidazol-2-yl) formate.

Molecular Properties

Compound Name(1-ethenylimidazol-2-yl) formate
PubChem CID140908161
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name(1-ethenylimidazol-2-yl) formate
SMILESC=Cn1ccnc1OC=O
InChIInChI=1S/C6H6N2O2/c1-2-8-4-3-7-6(8)10-5-9/h2-5H,1H2
InChIKeyUOPJJDWULNIVTK-UHFFFAOYSA-N
XLogP0.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethenylimidazol-2-yl) formate?
The IUPAC name of (1-ethenylimidazol-2-yl) formate (CID 140908161) is (1-ethenylimidazol-2-yl) formate.
What is the SMILES notation for (1-ethenylimidazol-2-yl) formate?
The canonical SMILES for (1-ethenylimidazol-2-yl) formate is C=Cn1ccnc1OC=O.
What is the InChIKey of (1-ethenylimidazol-2-yl) formate?
The InChIKey is UOPJJDWULNIVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-2-8-4-3-7-6(8)10-5-9/h2-5H,1H2.
What are the key properties of (1-ethenylimidazol-2-yl) formate?
(1-ethenylimidazol-2-yl) formate has a molecular weight of 138.13 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylimidazol-2-yl) formate is sourced from PubChem (CID 140908161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).