(E)-1-imidazol-1-yloct-3-en-2-ol

C11H18N2O — CID 21397880

IUPAC(E)-1-imidazol-1-yloct-3-en-2-ol
SMILESCCCC/C=C/C(O)Cn1ccnc1
InChIInChI=1S/C11H18N2O/c1-2-3-4-5-6-11(14)9-13-8-7-12-10-13/h5-8,10-11,14H,2-4,9H2,1H3/b6-5+
InChIKeyHODHRMWCIAOPBJ-AATRIKPKSA-N
MW194.28 g/mol
LogP1.99
Rot. Bonds6

About (E)-1-imidazol-1-yloct-3-en-2-ol

(E)-1-imidazol-1-yloct-3-en-2-ol (PubChem CID 21397880) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (E)-1-imidazol-1-yloct-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-imidazol-1-yloct-3-en-2-ol
PubChem CID21397880
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(E)-1-imidazol-1-yloct-3-en-2-ol
SMILESCCCC/C=C/C(O)Cn1ccnc1
InChIInChI=1S/C11H18N2O/c1-2-3-4-5-6-11(14)9-13-8-7-12-10-13/h5-8,10-11,14H,2-4,9H2,1H3/b6-5+
InChIKeyHODHRMWCIAOPBJ-AATRIKPKSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-imidazol-1-yloct-3-en-2-ol 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 (E)-1-imidazol-1-yloct-3-en-2-ol?
The IUPAC name of (E)-1-imidazol-1-yloct-3-en-2-ol (CID 21397880) is (E)-1-imidazol-1-yloct-3-en-2-ol.
What is the SMILES notation for (E)-1-imidazol-1-yloct-3-en-2-ol?
The canonical SMILES for (E)-1-imidazol-1-yloct-3-en-2-ol is CCCC/C=C/C(O)Cn1ccnc1.
What is the InChIKey of (E)-1-imidazol-1-yloct-3-en-2-ol?
The InChIKey is HODHRMWCIAOPBJ-AATRIKPKSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-4-5-6-11(14)9-13-8-7-12-10-13/h5-8,10-11,14H,2-4,9H2,1H3/b6-5+.
What are the key properties of (E)-1-imidazol-1-yloct-3-en-2-ol?
(E)-1-imidazol-1-yloct-3-en-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-imidazol-1-yloct-3-en-2-ol is sourced from PubChem (CID 21397880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).