ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate

C14H17NO5 — CID 10779037

IUPACethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N/OC)c1ccccc1C1OCCO1
InChIInChI=1S/C14H17NO5/c1-3-18-13(16)12(15-17-2)10-6-4-5-7-11(10)14-19-8-9-20-14/h4-7,14H,3,8-9H2,1-2H3/b15-12+
InChIKeyAFQAXSJYNYAKRW-NTCAYCPXSA-N
MW279.29 g/mol
LogP1.65
Rot. Bonds5

About ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate

ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate (PubChem CID 10779037) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate
PubChem CID10779037
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Nameethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N/OC)c1ccccc1C1OCCO1
InChIInChI=1S/C14H17NO5/c1-3-18-13(16)12(15-17-2)10-6-4-5-7-11(10)14-19-8-9-20-14/h4-7,14H,3,8-9H2,1-2H3/b15-12+
InChIKeyAFQAXSJYNYAKRW-NTCAYCPXSA-N
XLogP1.65
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-[2-(diethoxymethyl)phenyl]-2-methoxyiminoacetate
CID 11823021
ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
CID 90720155
ethyl 2-[2-(1,3-dioxolan-2-yl)phenyl]-2-oxoacetate;ethyl (Z)-2-[2-(1,3-dioxolan-2-yl)phenyl]-4-pyridin-2-ylbut-2-enoate
CID 158569152
ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate
CID 56600076
ethyl (2E)-2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate
CID 6379244
ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate
CID 4107103
ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate
CID 15075008
ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate
CID 137346136
ethyl 2-methoxyimino-2-(1-methylpyrazol-3-yl)acetate
CID 54252092
ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate
CID 10611863
ethyl 2-(1,3-dioxolan-2-ylmethyl)benzoate
CID 24727471
ethyl (2E)-2-methoxyimino-2-(3-methylthiophen-2-yl)acetate
CID 10933212

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate?
The IUPAC name of ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate (CID 10779037) is ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate.
What is the SMILES notation for ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate?
The canonical SMILES for ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate is CCOC(=O)/C(=N/OC)c1ccccc1C1OCCO1.
What is the InChIKey of ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate?
The InChIKey is AFQAXSJYNYAKRW-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H17NO5/c1-3-18-13(16)12(15-17-2)10-6-4-5-7-11(10)14-19-8-9-20-14/h4-7,14H,3,8-9H2,1-2H3/b15-12+.
What are the key properties of ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate?
ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate has a molecular weight of 279.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate is sourced from PubChem (CID 10779037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).