ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate

C15H17NO4 — CID 177151087

IUPACethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate
SMILESCCOC(=O)/C(=N\O)C1CC(C)c2ccccc2C1=O
InChIInChI=1S/C15H17NO4/c1-3-20-15(18)13(16-19)12-8-9(2)10-6-4-5-7-11(10)14(12)17/h4-7,9,12,19H,3,8H2,1-2H3/b16-13-
InChIKeyXHNWEQMPZBMHDV-SSZFMOIBSA-N
MW275.30 g/mol
LogP2.39
Rot. Bonds3

About ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate

ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate (PubChem CID 177151087) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate
PubChem CID177151087
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate
SMILESCCOC(=O)/C(=N\O)C1CC(C)c2ccccc2C1=O
InChIInChI=1S/C15H17NO4/c1-3-20-15(18)13(16-19)12-8-9(2)10-6-4-5-7-11(10)14(12)17/h4-7,9,12,19H,3,8H2,1-2H3/b16-13-
InChIKeyXHNWEQMPZBMHDV-SSZFMOIBSA-N
XLogP2.39
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

Ethyl 4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 323651
ethyl 2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate
CID 13722495
3-Imino-1,4-dioxonaphthalene-2-carboxylic acid
CID 54132852
ethyl (2E)-4-(2,4-difluorophenyl)-2-hydroxyimino-4-oxobutanoate
CID 87326315
Ethyl 4-(2,4-difluorophenyl)-2-hydroxyimino-4-oxobutanoate
CID 152469322
Ethyl 2-diazo-3-[2-(3-methylbenzoyl)phenyl]-3-oxopropanoate
CID 101578609
Ethyl 2-diazo-3-[2-(2-methylbenzoyl)phenyl]-3-oxopropanoate
CID 101578611
ethyl 2-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]acetate
CID 101799067
Ethyl 3-benzoyl-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carboxylate
CID 134953264
Ethyl 4,9-dioxo-3a,9a-dihydrobenzo[f][1,2]benzoxazole-3-carboxylate
CID 135000593
Ethyl 2-diazo-3-[2-(4-methylbenzoyl)phenyl]-3-oxopropanoate
CID 154710226
Ethyl 1,4-dioxo-2,3-dihydronaphthalene-2-carboxylate
CID 162401089

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate?
The IUPAC name of ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate (CID 177151087) is ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate.
What is the SMILES notation for ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate?
The canonical SMILES for ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate is CCOC(=O)/C(=N\O)C1CC(C)c2ccccc2C1=O.
What is the InChIKey of ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate?
The InChIKey is XHNWEQMPZBMHDV-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-20-15(18)13(16-19)12-8-9(2)10-6-4-5-7-11(10)14(12)17/h4-7,9,12,19H,3,8H2,1-2H3/b16-13-.
What are the key properties of ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate?
ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate has a molecular weight of 275.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-hydroxyimino-2-(4-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate is sourced from PubChem (CID 177151087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).