1-propylimidazole-2-carbaldehyde

C7H10N2O — CID 4777660

IUPAC1-propylimidazole-2-carbaldehyde
SMILESCCCn1ccnc1C=O
InChIInChI=1S/C7H10N2O/c1-2-4-9-5-3-8-7(9)6-10/h3,5-6H,2,4H2,1H3
InChIKeyCOIFMOLQDBIKOF-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.11
Rot. Bonds3

About 1-propylimidazole-2-carbaldehyde

1-propylimidazole-2-carbaldehyde (PubChem CID 4777660) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-propylimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-propylimidazole-2-carbaldehyde
PubChem CID4777660
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-propylimidazole-2-carbaldehyde
SMILESCCCn1ccnc1C=O
InChIInChI=1S/C7H10N2O/c1-2-4-9-5-3-8-7(9)6-10/h3,5-6H,2,4H2,1H3
InChIKeyCOIFMOLQDBIKOF-UHFFFAOYSA-N
XLogP1.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-propylimidazole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propylimidazole-2-carbaldehyde?
The IUPAC name of 1-propylimidazole-2-carbaldehyde (CID 4777660) is 1-propylimidazole-2-carbaldehyde.
What is the SMILES notation for 1-propylimidazole-2-carbaldehyde?
The canonical SMILES for 1-propylimidazole-2-carbaldehyde is CCCn1ccnc1C=O.
What is the InChIKey of 1-propylimidazole-2-carbaldehyde?
The InChIKey is COIFMOLQDBIKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-4-9-5-3-8-7(9)6-10/h3,5-6H,2,4H2,1H3.
What are the key properties of 1-propylimidazole-2-carbaldehyde?
1-propylimidazole-2-carbaldehyde has a molecular weight of 138.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylimidazole-2-carbaldehyde is sourced from PubChem (CID 4777660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).