1-penta-2,4-dienylimidazole-2-carbaldehyde

C9H10N2O — CID 118025266

IUPAC1-penta-2,4-dienylimidazole-2-carbaldehyde
SMILESC=CC=CCn1ccnc1C=O
InChIInChI=1S/C9H10N2O/c1-2-3-4-6-11-7-5-10-9(11)8-12/h2-5,7-8H,1,6H2
InChIKeyUAOXZFCRGVKAKW-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.44
Rot. Bonds4

About 1-penta-2,4-dienylimidazole-2-carbaldehyde

1-penta-2,4-dienylimidazole-2-carbaldehyde (PubChem CID 118025266) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-penta-2,4-dienylimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-penta-2,4-dienylimidazole-2-carbaldehyde
PubChem CID118025266
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-penta-2,4-dienylimidazole-2-carbaldehyde
SMILESC=CC=CCn1ccnc1C=O
InChIInChI=1S/C9H10N2O/c1-2-3-4-6-11-7-5-10-9(11)8-12/h2-5,7-8H,1,6H2
InChIKeyUAOXZFCRGVKAKW-UHFFFAOYSA-N
XLogP1.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-penta-2,4-dienylimidazole-2-carbaldehyde?
The IUPAC name of 1-penta-2,4-dienylimidazole-2-carbaldehyde (CID 118025266) is 1-penta-2,4-dienylimidazole-2-carbaldehyde.
What is the SMILES notation for 1-penta-2,4-dienylimidazole-2-carbaldehyde?
The canonical SMILES for 1-penta-2,4-dienylimidazole-2-carbaldehyde is C=CC=CCn1ccnc1C=O.
What is the InChIKey of 1-penta-2,4-dienylimidazole-2-carbaldehyde?
The InChIKey is UAOXZFCRGVKAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-3-4-6-11-7-5-10-9(11)8-12/h2-5,7-8H,1,6H2.
What are the key properties of 1-penta-2,4-dienylimidazole-2-carbaldehyde?
1-penta-2,4-dienylimidazole-2-carbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-2,4-dienylimidazole-2-carbaldehyde is sourced from PubChem (CID 118025266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).