2-ethoxy-1-methylimidazole-4-carbaldehyde

C7H10N2O2 — CID 146287739

IUPAC2-ethoxy-1-methylimidazole-4-carbaldehyde
SMILESCCOc1nc(C=O)cn1C
InChIInChI=1S/C7H10N2O2/c1-3-11-7-8-6(5-10)4-9(7)2/h4-5H,3H2,1-2H3
InChIKeyNPIKGTBJQAYLON-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.63
Rot. Bonds3

About 2-ethoxy-1-methylimidazole-4-carbaldehyde

2-ethoxy-1-methylimidazole-4-carbaldehyde (PubChem CID 146287739) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-ethoxy-1-methylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-ethoxy-1-methylimidazole-4-carbaldehyde
PubChem CID146287739
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-ethoxy-1-methylimidazole-4-carbaldehyde
SMILESCCOc1nc(C=O)cn1C
InChIInChI=1S/C7H10N2O2/c1-3-11-7-8-6(5-10)4-9(7)2/h4-5H,3H2,1-2H3
InChIKeyNPIKGTBJQAYLON-UHFFFAOYSA-N
XLogP0.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.63
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 2-ethoxy-1-methylimidazole-4-carbaldehyde?
The IUPAC name of 2-ethoxy-1-methylimidazole-4-carbaldehyde (CID 146287739) is 2-ethoxy-1-methylimidazole-4-carbaldehyde.
What is the SMILES notation for 2-ethoxy-1-methylimidazole-4-carbaldehyde?
The canonical SMILES for 2-ethoxy-1-methylimidazole-4-carbaldehyde is CCOc1nc(C=O)cn1C.
What is the InChIKey of 2-ethoxy-1-methylimidazole-4-carbaldehyde?
The InChIKey is NPIKGTBJQAYLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-11-7-8-6(5-10)4-9(7)2/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-1-methylimidazole-4-carbaldehyde?
2-ethoxy-1-methylimidazole-4-carbaldehyde has a molecular weight of 154.17 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methylimidazole-4-carbaldehyde is sourced from PubChem (CID 146287739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).