ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium

C9H18N3O2+ — CID 88912746

IUPACethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium
SMILESC=C/[N+](=C\NC)CC(=O)N(C)COC
InChIInChI=1S/C9H17N3O2/c1-5-12(7-10-2)6-9(13)11(3)8-14-4/h5,7H,1,6,8H2,2-4H3/p+1
InChIKeyOJIUURGUVATNDF-UHFFFAOYSA-O
MW200.26 g/mol
LogP-0.55
Rot. Bonds6

About ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium

ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium (PubChem CID 88912746) has the molecular formula C9H18N3O2+ and a molecular weight of 200.26 g/mol. Its IUPAC name is ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium.

Molecular Properties

Compound Nameethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium
PubChem CID88912746
Molecular FormulaC9H18N3O2+
Molecular Weight200.26 g/mol
Exact Mass200.14
IUPAC Nameethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium
SMILESC=C/[N+](=C\NC)CC(=O)N(C)COC
InChIInChI=1S/C9H17N3O2/c1-5-12(7-10-2)6-9(13)11(3)8-14-4/h5,7H,1,6,8H2,2-4H3/p+1
InChIKeyOJIUURGUVATNDF-UHFFFAOYSA-O
XLogP-0.55
TPSA44.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium?
The IUPAC name of ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium (CID 88912746) is ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium.
What is the SMILES notation for ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium?
The canonical SMILES for ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium is C=C/[N+](=C\NC)CC(=O)N(C)COC.
What is the InChIKey of ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium?
The InChIKey is OJIUURGUVATNDF-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17N3O2/c1-5-12(7-10-2)6-9(13)11(3)8-14-4/h5,7H,1,6,8H2,2-4H3/p+1.
What are the key properties of ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium?
ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium has a molecular weight of 200.26 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[2-[methoxymethyl(methyl)amino]-2-oxoethyl]-(methylaminomethylidene)azanium is sourced from PubChem (CID 88912746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).