ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate

C17H17NO5 — CID 56600076

IUPACethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1cc2ccccc2cc1OC(C)=O
InChIInChI=1S/C17H17NO5/c1-4-22-17(20)16(18-21-3)14-9-12-7-5-6-8-13(12)10-15(14)23-11(2)19/h5-10H,4H2,1-3H3/b18-16-
InChIKeyDFXQYCOXWVTBAQ-VLGSPTGOSA-N
MW315.33 g/mol
LogP2.68
Rot. Bonds5

About ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate

ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate (PubChem CID 56600076) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate
PubChem CID56600076
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Nameethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1cc2ccccc2cc1OC(C)=O
InChIInChI=1S/C17H17NO5/c1-4-22-17(20)16(18-21-3)14-9-12-7-5-6-8-13(12)10-15(14)23-11(2)19/h5-10H,4H2,1-3H3/b18-16-
InChIKeyDFXQYCOXWVTBAQ-VLGSPTGOSA-N
XLogP2.68
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.68
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate
CID 56599877
ethyl (2E)-2-[2-(diethoxymethyl)phenyl]-2-methoxyiminoacetate
CID 11823021
ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
CID 90720155
ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate
CID 10779037
[3-(C-ethoxycarbonyl-N-methoxycarbonimidoyl)phenyl] 4-(diaminomethylideneamino)benzoate
CID 54442599
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
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate
CID 173419854
(3-bromoanthracen-2-yl) acetate
CID 89282630
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
[3-[[4-(diaminomethylideneamino)phenyl]carbamoyl]naphthalen-2-yl] acetate
CID 70031436

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate (CID 56600076) is ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate is CCOC(=O)/C(=N\OC)c1cc2ccccc2cc1OC(C)=O.
What is the InChIKey of ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate?
The InChIKey is DFXQYCOXWVTBAQ-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H17NO5/c1-4-22-17(20)16(18-21-3)14-9-12-7-5-6-8-13(12)10-15(14)23-11(2)19/h5-10H,4H2,1-3H3/b18-16-.
What are the key properties of ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate?
ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate has a molecular weight of 315.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 56600076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).