8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride

C11H15ClN2O2 — CID 12870457

IUPAC8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride
SMILESCl.O=C(O)CCCCC=C=Cn1ccnc1
InChIInChI=1S/C11H14N2O2.ClH/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13;/h3,7-10H,1-2,4,6H2,(H,14,15);1H
InChIKeyKIESGHSOWMUJNJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.58
Rot. Bonds6

About 8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride

8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride (PubChem CID 12870457) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride.

Molecular Properties

Compound Name8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride
PubChem CID12870457
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride
SMILESCl.O=C(O)CCCCC=C=Cn1ccnc1
InChIInChI=1S/C11H14N2O2.ClH/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13;/h3,7-10H,1-2,4,6H2,(H,14,15);1H
InChIKeyKIESGHSOWMUJNJ-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Imidazole-1-octanoic acid
CID 125737
8-Imidazol-1-yloctanoic acid hydrochloride
CID 12870425
5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
8-Imidazol-1-yloct-6-ynoic acid;hydrochloride
CID 12870467
8-Imidazol-1-yl-2,2-dimethyloct-6-ynoic acid;hydrochloride
CID 12870469
(Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride
CID 12870502
7-Imidazol-1-ylheptanoic acid;hydrochloride
CID 12870526
10-(1H-imidazol-1-yl)decanoic acid
CID 12803316
12-(1H-imidazol-1-yl)dodecanoic acid
CID 12803318
6-Imidazol-1-ylhexanoic acid;hydrochloride
CID 45264028
6-(1H-Imidazol-1-yl)hexanoic acid
CID 12803314
7-(2-Methylimidazol-1-yl)heptanoic acid;hydrochloride
CID 12870528

Frequently Asked Questions

What is the IUPAC name of 8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride?
The IUPAC name of 8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride (CID 12870457) is 8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride.
What is the SMILES notation for 8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride?
The canonical SMILES for 8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride is Cl.O=C(O)CCCCC=C=Cn1ccnc1.
What is the InChIKey of 8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride?
The InChIKey is KIESGHSOWMUJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13;/h3,7-10H,1-2,4,6H2,(H,14,15);1H.
What are the key properties of 8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride?
8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazol-1-ylocta-6,7-dienoic acid;hydrochloride is sourced from PubChem (CID 12870457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).