(Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride

C11H17ClN2O2 — CID 12870502

IUPAC(Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride
SMILESCl.O=C(O)CCCC/C=C\Cn1ccnc1
InChIInChI=1S/C11H16N2O2.ClH/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13;/h3,5,7,9-10H,1-2,4,6,8H2,(H,14,15);1H/b5-3-;
InChIKeyYUZPVNLYDHRAAS-FBZPGIPVSA-N
MW244.72 g/mol
LogP2.51
Rot. Bonds7

About (Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride

(Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride (PubChem CID 12870502) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is (Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride.

Molecular Properties

Compound Name(Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride
PubChem CID12870502
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name(Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride
SMILESCl.O=C(O)CCCC/C=C\Cn1ccnc1
InChIInChI=1S/C11H16N2O2.ClH/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13;/h3,5,7,9-10H,1-2,4,6,8H2,(H,14,15);1H/b5-3-;
InChIKeyYUZPVNLYDHRAAS-FBZPGIPVSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.51
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'}

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Related Compounds

8-Imidazol-1-yloct-6-ynoic acid;hydrochloride
CID 12870467
7-Imidazol-1-ylheptanoic acid;hydrochloride
CID 12870526
8-Imidazol-1-ylocta-6,7-dienoic acid;hydrochloride
CID 12870457
6-Imidazol-1-ylhexanoic acid;hydrochloride
CID 45264028
6-(1H-Imidazol-1-yl)hexanoic acid
CID 12803314
12-(1H-Imidazol-1-yl)-(Z)-octadec-9-enoic acid
CID 53364394
8-Imidazol-1-yl-oct-6-ynoic acid; hydrochloride
CID 12870466
8-Imidazol-1-yl-oct-6-enoic acid; hydrochloride
CID 12870503
3-(5-Carboxypentyl)-1-methylimidazolium bromide
CID 12964860
1-Ethyl-3-methylimidazolium hexanoate
CID 129846451
8-Imidazol-1-yl-octa-6,7-dienoic acid; hydrochloride
CID 12870456
1-butyl-2-methylimidazole;(9Z,12Z)-2,2,3,3,4,4-hexafluorooctadeca-9,12-dienoic acid
CID 159183487

Frequently Asked Questions

What is the IUPAC name of (Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride?
The IUPAC name of (Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride (CID 12870502) is (Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride.
What is the SMILES notation for (Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride?
The canonical SMILES for (Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride is Cl.O=C(O)CCCC/C=C\Cn1ccnc1.
What is the InChIKey of (Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride?
The InChIKey is YUZPVNLYDHRAAS-FBZPGIPVSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13;/h3,5,7,9-10H,1-2,4,6,8H2,(H,14,15);1H/b5-3-;.
What are the key properties of (Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride?
(Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-imidazol-1-yloct-6-enoic acid;hydrochloride is sourced from PubChem (CID 12870502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).