N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide

C11H13NO3 — CID 6111601

IUPACN-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide
SMILESCCOC(=O)C/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C11H13NO3/c1-2-15-11(13)9-12(14)8-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b12-8-
InChIKeyAMCYCKIUBUIJOO-WQLSENKSSA-N
MW207.23 g/mol
LogP1.18
Rot. Bonds4

About N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide

N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide (PubChem CID 6111601) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide
PubChem CID6111601
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide
SMILESCCOC(=O)C/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C11H13NO3/c1-2-15-11(13)9-12(14)8-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b12-8-
InChIKeyAMCYCKIUBUIJOO-WQLSENKSSA-N
XLogP1.18
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxy-3-oxopropyl)-1-phenylmethanimine oxide
CID 98535720
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl (E)-2,4-dioxo-6-phenylhex-5-enoate
CID 5374346
1-[benzylidene(phenyl)azaniumyl]-2-ethoxycarbonylbut-1-en-1-olate
CID 137234699
ethyl 2-phenylacetate
CID 7590
ethyl (E)-3,5-dioxo-7-phenylhept-6-enoate
CID 14222370
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
(2-ethoxy-2-oxoethyl)-diphenylsulfanium
CID 15442561
ethyl 2-phenylacetate;hydrate
CID 141257001
CID 174637974
CID 174637974
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide?
The IUPAC name of N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide (CID 6111601) is N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide.
What is the SMILES notation for N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide?
The canonical SMILES for N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide is CCOC(=O)C/[N+]([O-])=C/c1ccccc1.
What is the InChIKey of N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide?
The InChIKey is AMCYCKIUBUIJOO-WQLSENKSSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-15-11(13)9-12(14)8-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b12-8-.
What are the key properties of N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide?
N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide has a molecular weight of 207.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-oxoethyl)-1-phenylmethanimine oxide is sourced from PubChem (CID 6111601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).