ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate

C15H12N2O4 — CID 132584585

IUPACethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate
SMILESCCOC(=O)C(=[N+]=[N-])c1cc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C15H12N2O4/c1-2-20-15(19)14(17-16)13-9-11(18)8-12(21-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyCYCUNNOIDNIBLV-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.89
Rot. Bonds4

About ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate

ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate (PubChem CID 132584585) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate
PubChem CID132584585
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Nameethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate
SMILESCCOC(=O)C(=[N+]=[N-])c1cc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C15H12N2O4/c1-2-20-15(19)14(17-16)13-9-11(18)8-12(21-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyCYCUNNOIDNIBLV-UHFFFAOYSA-N
XLogP1.89
TPSA92.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-diazo-2-[4-oxo-6-[(E)-2-phenylethenyl]pyran-2-yl]acetate
CID 164686478
2-(1-diazo-2-oxo-2-phenylethyl)-6-(4-propylphenyl)pyran-4-one
CID 164686476
ethyl 2-(6-cyclopropyl-4-oxopyran-2-yl)-2-diazoacetate
CID 164686930
ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate
CID 12784904
methyl 2-(1-diazo-2-ethoxy-2-oxoethyl)benzoate
CID 153308839
ethyl 6-(3-nitrophenyl)-4-oxopyran-2-carboxylate
CID 12784909
2-methoxy-6-phenylpyran-4-one
CID 568371
ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate
CID 142738029
ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate
CID 24774597
(2-methyl-5-phenylfuran-3-yl) propanoate
CID 102515590
2-(hydroxymethyl)-6-phenylpyran-4-one
CID 10584240
ethyl 2-oxo-2-(3-phenylphenyl)acetate
CID 42639767

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate?
The IUPAC name of ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate (CID 132584585) is ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate.
What is the SMILES notation for ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate?
The canonical SMILES for ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate is CCOC(=O)C(=[N+]=[N-])c1cc(=O)cc(-c2ccccc2)o1.
What is the InChIKey of ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate?
The InChIKey is CYCUNNOIDNIBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-2-20-15(19)14(17-16)13-9-11(18)8-12(21-13)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate?
ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate has a molecular weight of 284.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-2-(4-oxo-6-phenylpyran-2-yl)acetate is sourced from PubChem (CID 132584585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).