ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate

C14H14N2O4 — CID 101413368

IUPACethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate
SMILESC=CCOc1ccccc1C(=O)C(=[N+]=[N-])C(=O)OCC
InChIInChI=1S/C14H14N2O4/c1-3-9-20-11-8-6-5-7-10(11)13(17)12(16-15)14(18)19-4-2/h3,5-8H,1,4,9H2,2H3
InChIKeyAABPCUUBLILOJS-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.67
Rot. Bonds7

About ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate

ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate (PubChem CID 101413368) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate
PubChem CID101413368
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate
SMILESC=CCOc1ccccc1C(=O)C(=[N+]=[N-])C(=O)OCC
InChIInChI=1S/C14H14N2O4/c1-3-9-20-11-8-6-5-7-10(11)13(17)12(16-15)14(18)19-4-2/h3,5-8H,1,4,9H2,2H3
InChIKeyAABPCUUBLILOJS-UHFFFAOYSA-N
XLogP1.67
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-2-methyl-3-(2-prop-2-enoxyphenyl)prop-2-enoate
CID 15292046
methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate
CID 10083253
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
ethyl 2-[2-(2-methylprop-2-enoxy)phenyl]-2-oxoacetate
CID 117373306
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
CID 70191473
CID 70191473
ethyl 4-oxo-4-[2-(2-prop-2-enoxybenzoyl)hydrazinyl]butanoate
CID 4929104
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
methyl 2-diazo-2-(2-ethoxyphenyl)acetate
CID 101119436
ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate
CID 71326547

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate?
The IUPAC name of ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate (CID 101413368) is ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate is C=CCOc1ccccc1C(=O)C(=[N+]=[N-])C(=O)OCC.
What is the InChIKey of ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate?
The InChIKey is AABPCUUBLILOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-9-20-11-8-6-5-7-10(11)13(17)12(16-15)14(18)19-4-2/h3,5-8H,1,4,9H2,2H3.
What are the key properties of ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate?
ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate has a molecular weight of 274.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-3-oxo-3-(2-prop-2-enoxyphenyl)propanoate is sourced from PubChem (CID 101413368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).