trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium

C7H14N2O2 — CID 131666036

IUPACtrimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium
SMILESCC(=O)/C(C[N+](C)(C)C)=N\[O-]
InChIInChI=1S/C7H14N2O2/c1-6(10)7(8-11)5-9(2,3)4/h5H2,1-4H3
InChIKeyRWBBHBNKJAPDEL-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.22
Rot. Bonds3

About trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium

trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium (PubChem CID 131666036) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium
PubChem CID131666036
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nametrimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium
SMILESCC(=O)/C(C[N+](C)(C)C)=N\[O-]
InChIInChI=1S/C7H14N2O2/c1-6(10)7(8-11)5-9(2,3)4/h5H2,1-4H3
InChIKeyRWBBHBNKJAPDEL-UHFFFAOYSA-N
XLogP0.22
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[tri((113C)methyl)azaniumyl]acetate
CID 171379439
azane;2-(trimethylazaniumyl)acetate
CID 19995695
sulfanium 2-(trimethylazaniumyl)acetate
CID 22046245
butane;2-(trimethylazaniumyl)acetate
CID 129220851
formonitrile;2-(trimethylazaniumyl)acetate
CID 173415938
dimethylazanium;2-(trimethylazaniumyl)acetate
CID 22558275
(2E)-2-oxidoiminopentanedioic acid
CID 54724015
CID 135390032
CID 135390032
2,3-dioxopent-4-enyl(trimethyl)azanium
CID 88634113
trimethyl-[2-oxo-2-[2-[1-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]propan-2-ylidene]hydrazinyl]ethyl]azanium
CID 6800245
2,2-bis(hydroxymethyl)propane-1,3-diol;2-(trimethylazaniumyl)acetate
CID 19431176
2-oxidoiminobutanedioic acid
CID 141076392

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium?
The IUPAC name of trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium (CID 131666036) is trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium.
What is the SMILES notation for trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium?
The canonical SMILES for trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium is CC(=O)/C(C[N+](C)(C)C)=N\[O-].
What is the InChIKey of trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium?
The InChIKey is RWBBHBNKJAPDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(10)7(8-11)5-9(2,3)4/h5H2,1-4H3.
What are the key properties of trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium?
trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium has a molecular weight of 158.20 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2Z)-2-oxidoimino-3-oxobutyl]azanium is sourced from PubChem (CID 131666036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).