1-ethyl-3-methyl-2H-imidazole-2-carboxylate

C7H11N2O2- — CID 122235032

IUPAC1-ethyl-3-methyl-2H-imidazole-2-carboxylate
SMILESCCN1C=CN(C)C1C(=O)[O-]
InChIInChI=1S/C7H12N2O2/c1-3-9-5-4-8(2)6(9)7(10)11/h4-6H,3H2,1-2H3,(H,10,11)/p-1
InChIKeyPBZHISVDZCPMPG-UHFFFAOYSA-M
MW155.18 g/mol
LogP-1.20
Rot. Bonds2

About 1-ethyl-3-methyl-2H-imidazole-2-carboxylate

1-ethyl-3-methyl-2H-imidazole-2-carboxylate (PubChem CID 122235032) has the molecular formula C7H11N2O2- and a molecular weight of 155.18 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole-2-carboxylate.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole-2-carboxylate
PubChem CID122235032
Molecular FormulaC7H11N2O2-
Molecular Weight155.18 g/mol
Exact Mass155.08
IUPAC Name1-ethyl-3-methyl-2H-imidazole-2-carboxylate
SMILESCCN1C=CN(C)C1C(=O)[O-]
InChIInChI=1S/C7H12N2O2/c1-3-9-5-4-8(2)6(9)7(10)11/h4-6H,3H2,1-2H3,(H,10,11)/p-1
InChIKeyPBZHISVDZCPMPG-UHFFFAOYSA-M
XLogP-1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-imidazole-2-carboxylate?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole-2-carboxylate (CID 122235032) is 1-ethyl-3-methyl-2H-imidazole-2-carboxylate.
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole-2-carboxylate?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole-2-carboxylate is CCN1C=CN(C)C1C(=O)[O-].
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole-2-carboxylate?
The InChIKey is PBZHISVDZCPMPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N2O2/c1-3-9-5-4-8(2)6(9)7(10)11/h4-6H,3H2,1-2H3,(H,10,11)/p-1.
What are the key properties of 1-ethyl-3-methyl-2H-imidazole-2-carboxylate?
1-ethyl-3-methyl-2H-imidazole-2-carboxylate has a molecular weight of 155.18 g/mol, XLogP of -1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazole-2-carboxylate is sourced from PubChem (CID 122235032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).