mercury;(Z)-octadec-9-enamide;hydrochloride

C18H36ClHgNO — CID 175499195

IUPACmercury;(Z)-octadec-9-enamide;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.Cl.[Hg]
InChIInChI=1S/C18H35NO.ClH.Hg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);1H;/b10-9-;;
InChIKeyBJBOQSDCEXBCEF-XXAVUKJNSA-N
MW518.54 g/mol
LogP5.93
Rot. Bonds15

About mercury;(Z)-octadec-9-enamide;hydrochloride

mercury;(Z)-octadec-9-enamide;hydrochloride (PubChem CID 175499195) has the molecular formula C18H36ClHgNO and a molecular weight of 518.54 g/mol. Its IUPAC name is mercury;(Z)-octadec-9-enamide;hydrochloride.

Molecular Properties

Compound Namemercury;(Z)-octadec-9-enamide;hydrochloride
PubChem CID175499195
Molecular FormulaC18H36ClHgNO
Molecular Weight518.54 g/mol
Exact Mass519.22
IUPAC Namemercury;(Z)-octadec-9-enamide;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.Cl.[Hg]
InChIInChI=1S/C18H35NO.ClH.Hg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);1H;/b10-9-;;
InChIKeyBJBOQSDCEXBCEF-XXAVUKJNSA-N
XLogP5.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.54
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride
CID 174573210
(Z)-tricos-15-enamide
CID 155109212
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
octadec-9-enamide
CID 75990485
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
(Z)-octadec-9-enamide;platinum
CID 174872668
indigane;(Z)-octadec-9-enamide
CID 174921402
ethanamine;(Z)-octadec-9-enamide
CID 174881781
(Z)-octadec-9-enamide;propan-1-ol
CID 174914657

Frequently Asked Questions

What is the IUPAC name of mercury;(Z)-octadec-9-enamide;hydrochloride?
The IUPAC name of mercury;(Z)-octadec-9-enamide;hydrochloride (CID 175499195) is mercury;(Z)-octadec-9-enamide;hydrochloride.
What is the SMILES notation for mercury;(Z)-octadec-9-enamide;hydrochloride?
The canonical SMILES for mercury;(Z)-octadec-9-enamide;hydrochloride is CCCCCCCC/C=C\CCCCCCCC(N)=O.Cl.[Hg].
What is the InChIKey of mercury;(Z)-octadec-9-enamide;hydrochloride?
The InChIKey is BJBOQSDCEXBCEF-XXAVUKJNSA-N. The full InChI is InChI=1S/C18H35NO.ClH.Hg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);1H;/b10-9-;;.
What are the key properties of mercury;(Z)-octadec-9-enamide;hydrochloride?
mercury;(Z)-octadec-9-enamide;hydrochloride has a molecular weight of 518.54 g/mol, XLogP of 5.93, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for mercury;(Z)-octadec-9-enamide;hydrochloride is sourced from PubChem (CID 175499195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).