1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde

C13H18N2O — CID 134966680

IUPAC1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde
SMILESO=Cc1nccn1C/C=C/C1CCCCC1
InChIInChI=1S/C13H18N2O/c16-11-13-14-8-10-15(13)9-4-7-12-5-2-1-3-6-12/h4,7-8,10-12H,1-3,5-6,9H2/b7-4+
InChIKeyFNZMFSHTHWGLFR-QPJJXVBHSA-N
MW218.30 g/mol
LogP2.83
Rot. Bonds4

About 1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde

1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde (PubChem CID 134966680) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde
PubChem CID134966680
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde
SMILESO=Cc1nccn1C/C=C/C1CCCCC1
InChIInChI=1S/C13H18N2O/c16-11-13-14-8-10-15(13)9-4-7-12-5-2-1-3-6-12/h4,7-8,10-12H,1-3,5-6,9H2/b7-4+
InChIKeyFNZMFSHTHWGLFR-QPJJXVBHSA-N
XLogP2.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde?
The IUPAC name of 1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde (CID 134966680) is 1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde.
What is the SMILES notation for 1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde?
The canonical SMILES for 1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde is O=Cc1nccn1C/C=C/C1CCCCC1.
What is the InChIKey of 1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde?
The InChIKey is FNZMFSHTHWGLFR-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H18N2O/c16-11-13-14-8-10-15(13)9-4-7-12-5-2-1-3-6-12/h4,7-8,10-12H,1-3,5-6,9H2/b7-4+.
What are the key properties of 1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde?
1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde has a molecular weight of 218.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-cyclohexylprop-2-enyl]imidazole-2-carbaldehyde is sourced from PubChem (CID 134966680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).