3-propylimidazole-4-carbaldehyde

C7H10N2O — CID 10240870

IUPAC3-propylimidazole-4-carbaldehyde
SMILESCCCn1cncc1C=O
InChIInChI=1S/C7H10N2O/c1-2-3-9-6-8-4-7(9)5-10/h4-6H,2-3H2,1H3
InChIKeyCZNHVLOXIAQFJC-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.11
Rot. Bonds3

About 3-propylimidazole-4-carbaldehyde

3-propylimidazole-4-carbaldehyde (PubChem CID 10240870) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-propylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-propylimidazole-4-carbaldehyde
PubChem CID10240870
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-propylimidazole-4-carbaldehyde
SMILESCCCn1cncc1C=O
InChIInChI=1S/C7H10N2O/c1-2-3-9-6-8-4-7(9)5-10/h4-6H,2-3H2,1H3
InChIKeyCZNHVLOXIAQFJC-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-propylimidazole-4-carbaldehyde?
The IUPAC name of 3-propylimidazole-4-carbaldehyde (CID 10240870) is 3-propylimidazole-4-carbaldehyde.
What is the SMILES notation for 3-propylimidazole-4-carbaldehyde?
The canonical SMILES for 3-propylimidazole-4-carbaldehyde is CCCn1cncc1C=O.
What is the InChIKey of 3-propylimidazole-4-carbaldehyde?
The InChIKey is CZNHVLOXIAQFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-9-6-8-4-7(9)5-10/h4-6H,2-3H2,1H3.
What are the key properties of 3-propylimidazole-4-carbaldehyde?
3-propylimidazole-4-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 3-propylimidazole-4-carbaldehyde is sourced from PubChem (CID 10240870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).