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

C7H12N2O — CID 87967548

IUPAC1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde
SMILESCCN1C=CN(C)C1C=O
InChIInChI=1S/C7H12N2O/c1-3-9-5-4-8(2)7(9)6-10/h4-7H,3H2,1-2H3
InChIKeyNTDWLKKTSOFPMK-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.25
Rot. Bonds2

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

1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde (PubChem CID 87967548) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde
PubChem CID87967548
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde
SMILESCCN1C=CN(C)C1C=O
InChIInChI=1S/C7H12N2O/c1-3-9-5-4-8(2)7(9)6-10/h4-7H,3H2,1-2H3
InChIKeyNTDWLKKTSOFPMK-UHFFFAOYSA-N
XLogP0.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-3-methyl-2H-imidazole-2-carbaldehyde?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde (CID 87967548) is 1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde.
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde is CCN1C=CN(C)C1C=O.
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde?
The InChIKey is NTDWLKKTSOFPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-9-5-4-8(2)7(9)6-10/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde?
1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde has a molecular weight of 140.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazole-2-carbaldehyde is sourced from PubChem (CID 87967548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).