3-(2-ethylimidazol-1-yl)propanal

C8H12N2O — CID 63040378

IUPAC3-(2-ethylimidazol-1-yl)propanal
SMILESCCc1nccn1CCC=O
InChIInChI=1S/C8H12N2O/c1-2-8-9-4-6-10(8)5-3-7-11/h4,6-7H,2-3,5H2,1H3
InChIKeyFKPGNITUWPXFMR-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.03
Rot. Bonds4

About 3-(2-ethylimidazol-1-yl)propanal

3-(2-ethylimidazol-1-yl)propanal (PubChem CID 63040378) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)propanal.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)propanal
PubChem CID63040378
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(2-ethylimidazol-1-yl)propanal
SMILESCCc1nccn1CCC=O
InChIInChI=1S/C8H12N2O/c1-2-8-9-4-6-10(8)5-3-7-11/h4,6-7H,2-3,5H2,1H3
InChIKeyFKPGNITUWPXFMR-UHFFFAOYSA-N
XLogP1.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
2-ethyl-1-(2-propan-2-yloxyethyl)imidazole
CID 63810193
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
(2-ethylimidazol-1-yl)methanamine
CID 122501271
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62565129
4-(2-ethylimidazol-1-yl)-2,2-dimethylbutanoic acid
CID 65248356
2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
CID 115769672
2-ethyl-1-(4-methylsulfanylbutyl)imidazole
CID 141069920

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)propanal?
The IUPAC name of 3-(2-ethylimidazol-1-yl)propanal (CID 63040378) is 3-(2-ethylimidazol-1-yl)propanal.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)propanal?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)propanal is CCc1nccn1CCC=O.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)propanal?
The InChIKey is FKPGNITUWPXFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-8-9-4-6-10(8)5-3-7-11/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)propanal?
3-(2-ethylimidazol-1-yl)propanal has a molecular weight of 152.20 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)propanal is sourced from PubChem (CID 63040378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).