[(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate

C15H14N2O2 — CID 101007820

IUPAC[(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate
SMILESC=C/C=C/COC(=O)C(/C=C/c1ccccc1)=[N+]=[N-]
InChIInChI=1S/C15H14N2O2/c1-2-3-7-12-19-15(18)14(17-16)11-10-13-8-5-4-6-9-13/h2-11H,1,12H2/b7-3+,11-10+
InChIKeyFWPZEOJVBXXJRF-LRPGZYIXSA-N
MW254.29 g/mol
LogP2.66
Rot. Bonds6

About [(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate

[(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate (PubChem CID 101007820) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate.

Molecular Properties

Compound Name[(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate
PubChem CID101007820
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name[(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate
SMILESC=C/C=C/COC(=O)C(/C=C/c1ccccc1)=[N+]=[N-]
InChIInChI=1S/C15H14N2O2/c1-2-3-7-12-19-15(18)14(17-16)11-10-13-8-5-4-6-9-13/h2-11H,1,12H2/b7-3+,11-10+
InChIKeyFWPZEOJVBXXJRF-LRPGZYIXSA-N
XLogP2.66
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl (E)-2-diazo-4-phenylbut-3-enoate
CID 101347854
[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate
CID 53253335
1-O-tert-butyl 3-O-[(Z)-3-phenylprop-2-enyl] 2-diazopropanedioate
CID 86607496
penta-2,4-dienyl hydrogen carbonate
CID 151360859
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
3-phenylprop-2-enyl 2-(chloromethyl)prop-2-enoate
CID 57238060
carbonic acid;hexa-1,3,5-trienylbenzene
CID 118450762
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302
3-phenylprop-2-enyl undec-10-enoate
CID 5058041

Frequently Asked Questions

What is the IUPAC name of [(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate?
The IUPAC name of [(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate (CID 101007820) is [(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate.
What is the SMILES notation for [(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate?
The canonical SMILES for [(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate is C=C/C=C/COC(=O)C(/C=C/c1ccccc1)=[N+]=[N-].
What is the InChIKey of [(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate?
The InChIKey is FWPZEOJVBXXJRF-LRPGZYIXSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-3-7-12-19-15(18)14(17-16)11-10-13-8-5-4-6-9-13/h2-11H,1,12H2/b7-3+,11-10+.
What are the key properties of [(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate?
[(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate has a molecular weight of 254.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-penta-2,4-dienyl] (E)-2-diazo-4-phenylbut-3-enoate is sourced from PubChem (CID 101007820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).