2-methoxyethyl imidazole-1-carboxylate

C7H10N2O3 — CID 10583275

IUPAC2-methoxyethyl imidazole-1-carboxylate
SMILESCOCCOC(=O)n1ccnc1
InChIInChI=1S/C7H10N2O3/c1-11-4-5-12-7(10)9-3-2-8-6-9/h2-3,6H,4-5H2,1H3
InChIKeySQFUIOWCOBPWPJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.51
Rot. Bonds3

About 2-methoxyethyl imidazole-1-carboxylate

2-methoxyethyl imidazole-1-carboxylate (PubChem CID 10583275) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-methoxyethyl imidazole-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl imidazole-1-carboxylate
PubChem CID10583275
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-methoxyethyl imidazole-1-carboxylate
SMILESCOCCOC(=O)n1ccnc1
InChIInChI=1S/C7H10N2O3/c1-11-4-5-12-7(10)9-3-2-8-6-9/h2-3,6H,4-5H2,1H3
InChIKeySQFUIOWCOBPWPJ-UHFFFAOYSA-N
XLogP0.51
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl imidazole-1-carboxylate?
The IUPAC name of 2-methoxyethyl imidazole-1-carboxylate (CID 10583275) is 2-methoxyethyl imidazole-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl imidazole-1-carboxylate?
The canonical SMILES for 2-methoxyethyl imidazole-1-carboxylate is COCCOC(=O)n1ccnc1.
What is the InChIKey of 2-methoxyethyl imidazole-1-carboxylate?
The InChIKey is SQFUIOWCOBPWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-11-4-5-12-7(10)9-3-2-8-6-9/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-methoxyethyl imidazole-1-carboxylate?
2-methoxyethyl imidazole-1-carboxylate has a molecular weight of 170.17 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl imidazole-1-carboxylate is sourced from PubChem (CID 10583275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).