ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate

C19H16N2O3 — CID 71326547

IUPACethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate
SMILESCCOC(=O)C(=[N+]=[N-])C(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O3/c1-2-24-19(23)18(21-20)17(22)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyPAZVMYBHJFTJFW-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.92
Rot. Bonds6

About ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate

ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate (PubChem CID 71326547) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate
PubChem CID71326547
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Nameethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate
SMILESCCOC(=O)C(=[N+]=[N-])C(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O3/c1-2-24-19(23)18(21-20)17(22)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyPAZVMYBHJFTJFW-UHFFFAOYSA-N
XLogP2.92
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.92
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'}

Analyze ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate 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

1-O-ethyl 3-O-[(1S)-1-phenylpropyl] 2-diazopropanedioate
CID 100934339
ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate
CID 3863165
ethyl (E)-4-oxo-4-phenyl-2-(trifluoromethyl)but-2-enoate
CID 102449794
ethyl 2-diazo-3,7-dioxo-5-phenyloctanoate
CID 101193448
ethyl 2-phenylpent-2-enoate
CID 148550128
ethyl 2-oxo-2-phenylacetate
CID 15349
diethyl 2-hydroxy-5-phenylhexa-2,4-dienedioate
CID 54729638
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl 3-phenyl-2,3-bis(sulfanyl)prop-2-enoate
CID 72543001
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate?
The IUPAC name of ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate (CID 71326547) is ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate.
What is the SMILES notation for ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate?
The canonical SMILES for ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate is CCOC(=O)C(=[N+]=[N-])C(=O)C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate?
The InChIKey is PAZVMYBHJFTJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-24-19(23)18(21-20)17(22)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,2H2,1H3.
What are the key properties of ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate?
ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate has a molecular weight of 320.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-3-oxo-5,5-diphenylpent-4-enoate is sourced from PubChem (CID 71326547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).