[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate

C9H20ClN2O5+ — CID 134891179

IUPAC[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate
SMILESCO/C(C=[N+](C)C)=C\[N+](C)(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H20N2O.ClHO4/c1-10(2)7-9(12-6)8-11(3,4)5;2-1(3,4)5/h7-8H,1-6H3;(H,2,3,4,5)/q+2;/p-1/b9-8-;
InChIKeyOIDBKDUSRWIIJI-UOQXYWCXSA-M
MW271.72 g/mol
LogP-4.23
Rot. Bonds3

About [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate

[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate (PubChem CID 134891179) has the molecular formula C9H20ClN2O5+ and a molecular weight of 271.72 g/mol. Its IUPAC name is [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate.

Molecular Properties

Compound Name[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate
PubChem CID134891179
Molecular FormulaC9H20ClN2O5+
Molecular Weight271.72 g/mol
Exact Mass271.11
IUPAC Name[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate
SMILESCO/C(C=[N+](C)C)=C\[N+](C)(C)C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H20N2O.ClHO4/c1-10(2)7-9(12-6)8-11(3,4)5;2-1(3,4)5/h7-8H,1-6H3;(H,2,3,4,5)/q+2;/p-1/b9-8-;
InChIKeyOIDBKDUSRWIIJI-UOQXYWCXSA-M
XLogP-4.23
TPSA104.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 5-4.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

K 154028
CID 3036457
Mdl 310
CID 3036458
K 152564
CID 3035729
K 152848
CID 3037176
[(Z)-3-(dimethylamino)-2-methoxyprop-2-enylidene]-dimethylazanium perchlorate
CID 12220711
[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium perchlorate
CID 12727111
3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium
CID 146889
3-(Dimethylamino)-N,N-dimethyl-2-propoxyprop-2-en-1-iminium iodide
CID 146891
[2-Butoxy-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 126675
[3-(Dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium
CID 170785
[(E)-3-(dimethylamino)-2-propoxyprop-2-enylidene]-dimethylazanium
CID 6336337
[(Z)-3-(dimethylamino)-2-ethoxyprop-2-enylidene]-dimethylazanium iodide
CID 13520065

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate?
The IUPAC name of [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate (CID 134891179) is [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate.
What is the SMILES notation for [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate?
The canonical SMILES for [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate is CO/C(C=[N+](C)C)=C\[N+](C)(C)C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate?
The InChIKey is OIDBKDUSRWIIJI-UOQXYWCXSA-M. The full InChI is InChI=1S/C9H20N2O.ClHO4/c1-10(2)7-9(12-6)8-11(3,4)5;2-1(3,4)5/h7-8H,1-6H3;(H,2,3,4,5)/q+2;/p-1/b9-8-;.
What are the key properties of [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate?
[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate has a molecular weight of 271.72 g/mol, XLogP of -4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium perchlorate is sourced from PubChem (CID 134891179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).