ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate

C14H16N2O3 — CID 11630294

IUPACethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate
SMILESC=C=CC(NNC(=O)c1ccccc1)C(=O)OCC
InChIInChI=1S/C14H16N2O3/c1-3-8-12(14(18)19-4-2)15-16-13(17)11-9-6-5-7-10-11/h5-10,12,15H,1,4H2,2H3,(H,16,17)
InChIKeySFRINSMUOJNTMU-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.19
Rot. Bonds6

About ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate

ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate (PubChem CID 11630294) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate.

Molecular Properties

Compound Nameethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate
PubChem CID11630294
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate
SMILESC=C=CC(NNC(=O)c1ccccc1)C(=O)OCC
InChIInChI=1S/C14H16N2O3/c1-3-8-12(14(18)19-4-2)15-16-13(17)11-9-6-5-7-10-11/h5-10,12,15H,1,4H2,2H3,(H,16,17)
InChIKeySFRINSMUOJNTMU-UHFFFAOYSA-N
XLogP1.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate?
The IUPAC name of ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate (CID 11630294) is ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate.
What is the SMILES notation for ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate?
The canonical SMILES for ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate is C=C=CC(NNC(=O)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate?
The InChIKey is SFRINSMUOJNTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-8-12(14(18)19-4-2)15-16-13(17)11-9-6-5-7-10-11/h5-10,12,15H,1,4H2,2H3,(H,16,17).
What are the key properties of ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate?
ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate has a molecular weight of 260.29 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-benzoylhydrazinyl)penta-3,4-dienoate is sourced from PubChem (CID 11630294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).