2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde

C11H16N2O — CID 173132179

IUPAC2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde
SMILESC=CCN1C=CN(CC=C)C1CC=O
InChIInChI=1S/C11H16N2O/c1-3-6-12-8-9-13(7-4-2)11(12)5-10-14/h3-4,8-11H,1-2,5-7H2
InChIKeyRWDJSLOXMNMLLW-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.36
Rot. Bonds6

About 2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde

2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde (PubChem CID 173132179) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde
PubChem CID173132179
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde
SMILESC=CCN1C=CN(CC=C)C1CC=O
InChIInChI=1S/C11H16N2O/c1-3-6-12-8-9-13(7-4-2)11(12)5-10-14/h3-4,8-11H,1-2,5-7H2
InChIKeyRWDJSLOXMNMLLW-UHFFFAOYSA-N
XLogP1.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.36
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'}

Analyze 2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde 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 2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde?
The IUPAC name of 2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde (CID 173132179) is 2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde.
What is the SMILES notation for 2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde?
The canonical SMILES for 2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde is C=CCN1C=CN(CC=C)C1CC=O.
What is the InChIKey of 2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde?
The InChIKey is RWDJSLOXMNMLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-6-12-8-9-13(7-4-2)11(12)5-10-14/h3-4,8-11H,1-2,5-7H2.
What are the key properties of 2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde?
2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde has a molecular weight of 192.26 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde is sourced from PubChem (CID 173132179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).