(E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate

C6H7N2O2- — CID 177470134

IUPAC(E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate
SMILESCO/C([O-])=C/c1ncc[nH]1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)4-5-7-2-3-8-5/h2-4,9H,1H3,(H,7,8)/p-1/b6-4+
InChIKeyIPWKJMMHMWDFPX-GQCTYLIASA-M
MW139.13 g/mol
LogP-0.29
Rot. Bonds2

About (E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate

(E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate (PubChem CID 177470134) has the molecular formula C6H7N2O2- and a molecular weight of 139.13 g/mol. Its IUPAC name is (E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate.

Molecular Properties

Compound Name(E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate
PubChem CID177470134
Molecular FormulaC6H7N2O2-
Molecular Weight139.13 g/mol
Exact Mass139.05
IUPAC Name(E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate
SMILESCO/C([O-])=C/c1ncc[nH]1
InChIInChI=1S/C6H8N2O2/c1-10-6(9)4-5-7-2-3-8-5/h2-4,9H,1H3,(H,7,8)/p-1/b6-4+
InChIKeyIPWKJMMHMWDFPX-GQCTYLIASA-M
XLogP-0.29
TPSA60.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate?
The IUPAC name of (E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate (CID 177470134) is (E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate.
What is the SMILES notation for (E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate?
The canonical SMILES for (E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate is CO/C([O-])=C/c1ncc[nH]1.
What is the InChIKey of (E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate?
The InChIKey is IPWKJMMHMWDFPX-GQCTYLIASA-M. The full InChI is InChI=1S/C6H8N2O2/c1-10-6(9)4-5-7-2-3-8-5/h2-4,9H,1H3,(H,7,8)/p-1/b6-4+.
What are the key properties of (E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate?
(E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate has a molecular weight of 139.13 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1H-imidazol-2-yl)-1-methoxyethenolate is sourced from PubChem (CID 177470134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).