[(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium

C11H23N2O3+ — CID 7380937

IUPAC[(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium
SMILESCCOC(=O)/C(CC[N+](C)(CC)CC)=N\O
InChIInChI=1S/C11H22N2O3/c1-5-13(4,6-2)9-8-10(12-15)11(14)16-7-3/h5-9H2,1-4H3/p+1
InChIKeyVBSADSWMYHVAFI-UHFFFAOYSA-O
MW231.32 g/mol
LogP1.26
Rot. Bonds7

About [(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium

[(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium (PubChem CID 7380937) has the molecular formula C11H23N2O3+ and a molecular weight of 231.32 g/mol. Its IUPAC name is [(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium.

Molecular Properties

Compound Name[(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium
PubChem CID7380937
Molecular FormulaC11H23N2O3+
Molecular Weight231.32 g/mol
Exact Mass231.17
IUPAC Name[(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium
SMILESCCOC(=O)/C(CC[N+](C)(CC)CC)=N\O
InChIInChI=1S/C11H22N2O3/c1-5-13(4,6-2)9-8-10(12-15)11(14)16-7-3/h5-9H2,1-4H3/p+1
InChIKeyVBSADSWMYHVAFI-UHFFFAOYSA-O
XLogP1.26
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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

1-O-ethyl 5-O-methyl (2Z)-2-hydroxyiminopentanedioate
CID 88776427
ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate
CID 18370813
ethyl (2Z)-5-cyano-2-hydroxyiminopentanoate
CID 6399056
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
ethyl 2-hydroxyiminopropanoate
CID 6399798
ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate
CID 139266119
ethyl 2-hydroxyimino-7-oxo-7-(propan-2-ylamino)heptanoate
CID 131872190
ethyl 2-hydroxyimino-3-(4-methylphenyl)propanoate
CID 142461557
ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
CID 18370085
ethyl (2Z,4Z)-2,4-bis(hydroxyimino)-4-phenylbutanoate
CID 139266120
ethyl (2E)-5-(4-fluorophenoxy)-2-hydroxyiminopentanoate
CID 18370808
diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate
CID 167445572

Frequently Asked Questions

What is the IUPAC name of [(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium?
The IUPAC name of [(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium (CID 7380937) is [(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium.
What is the SMILES notation for [(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium?
The canonical SMILES for [(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium is CCOC(=O)/C(CC[N+](C)(CC)CC)=N\O.
What is the InChIKey of [(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium?
The InChIKey is VBSADSWMYHVAFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O3/c1-5-13(4,6-2)9-8-10(12-15)11(14)16-7-3/h5-9H2,1-4H3/p+1.
What are the key properties of [(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium?
[(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium has a molecular weight of 231.32 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium is sourced from PubChem (CID 7380937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).