ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate

C15H12N2O3 — CID 102321113

IUPACethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate
SMILESCCOC(=O)C(=[N+]=[N-])C(=O)c1cccc2ccccc12
InChIInChI=1S/C15H12N2O3/c1-2-20-15(19)13(17-16)14(18)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKeyRZJVFDRFLWPNQO-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.26
Rot. Bonds4

About ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate

ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate (PubChem CID 102321113) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate
PubChem CID102321113
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Nameethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate
SMILESCCOC(=O)C(=[N+]=[N-])C(=O)c1cccc2ccccc12
InChIInChI=1S/C15H12N2O3/c1-2-20-15(19)13(17-16)14(18)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKeyRZJVFDRFLWPNQO-UHFFFAOYSA-N
XLogP2.26
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-(naphthalen-8-yl)-3-oxopropanoate
CID 2760157
3-Naphthalen-2-yl-3-oxopropionic acid ethyl ester
CID 2760158
(1Z)-2-Diazonio-3-methoxy-3-oxo-1-phenylprop-1-en-1-olate
CID 3755895
Methyl 3-(naphthalen-1-yl)-3-oxopropanoate
CID 2760159
3-Naphthalen-2-yl-3-oxo-propionic acid methyl ester
CID 2760160
Ethyl 2-diazo-3-(2-fluorophenyl)-3-oxopropanoate
CID 76818128
Ethyl 2-diazo-3-(4-fluorophenyl)-3-oxopropanoate
CID 137015078
Acetic acid, benzoyldiazo-, ethyl ester
CID 605325
Ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate
CID 135078279
Tert-butyl 2-diazo-3-oxo-3-phenylpropanoate
CID 101341596
Methyl 2-diazo-2-naphthalen-1-ylacetate
CID 53737034
Ethyl 2-(2-benzoylphenyl)-2-diazoacetate
CID 102221731

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate?
The IUPAC name of ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate (CID 102321113) is ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate.
What is the SMILES notation for ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate?
The canonical SMILES for ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate is CCOC(=O)C(=[N+]=[N-])C(=O)c1cccc2ccccc12.
What is the InChIKey of ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate?
The InChIKey is RZJVFDRFLWPNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-20-15(19)13(17-16)14(18)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate?
ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate has a molecular weight of 268.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-3-naphthalen-1-yl-3-oxopropanoate is sourced from PubChem (CID 102321113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).