2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde

C7H12N2O — CID 23026396

IUPAC2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde
SMILESCC1N(C)C=CN1CC=O
InChIInChI=1S/C7H12N2O/c1-7-8(2)3-4-9(7)5-6-10/h3-4,6-7H,5H2,1-2H3
InChIKeyCTPFCEIJHYWEEH-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.25
Rot. Bonds2

About 2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde

2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde (PubChem CID 23026396) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde
PubChem CID23026396
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde
SMILESCC1N(C)C=CN1CC=O
InChIInChI=1S/C7H12N2O/c1-7-8(2)3-4-9(7)5-6-10/h3-4,6-7H,5H2,1-2H3
InChIKeyCTPFCEIJHYWEEH-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 2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde?
The IUPAC name of 2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde (CID 23026396) is 2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde is CC1N(C)C=CN1CC=O.
What is the InChIKey of 2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde?
The InChIKey is CTPFCEIJHYWEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7-8(2)3-4-9(7)5-6-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde?
2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde 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 2-(2,3-dimethyl-2H-imidazol-1-yl)acetaldehyde is sourced from PubChem (CID 23026396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).