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

C9H20N2O+2 — CID 134891180

IUPAC[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium
SMILESCO/C(C=[N+](C)C)=C\[N+](C)(C)C
InChIInChI=1S/C9H20N2O/c1-10(2)7-9(12-6)8-11(3,4)5/h7-8H,1-6H3/q+2/b9-8-
InChIKeyLDELAIWTBJCUKG-HJWRWDBZSA-N
MW172.27 g/mol
LogP0.52
Rot. Bonds3

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

[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium (PubChem CID 134891180) has the molecular formula C9H20N2O+2 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium.

Molecular Properties

Compound Name[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium
PubChem CID134891180
Molecular FormulaC9H20N2O+2
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium
SMILESCO/C(C=[N+](C)C)=C\[N+](C)(C)C
InChIInChI=1S/C9H20N2O/c1-10(2)7-9(12-6)8-11(3,4)5/h7-8H,1-6H3/q+2/b9-8-
InChIKeyLDELAIWTBJCUKG-HJWRWDBZSA-N
XLogP0.52
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium?
The IUPAC name of [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium (CID 134891180) is [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium.
What is the SMILES notation for [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium?
The canonical SMILES for [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium is CO/C(C=[N+](C)C)=C\[N+](C)(C)C.
What is the InChIKey of [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium?
The InChIKey is LDELAIWTBJCUKG-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10(2)7-9(12-6)8-11(3,4)5/h7-8H,1-6H3/q+2/b9-8-.
What are the key properties of [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium?
[(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium has a molecular weight of 172.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-dimethylazaniumylidene-2-methoxyprop-1-enyl]-trimethylazanium is sourced from PubChem (CID 134891180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).