ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate

C14H18N2O3 — CID 11184582

IUPACethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate
SMILESC=CC[C@@H](NNC(=O)c1ccccc1)C(=O)OCC
InChIInChI=1S/C14H18N2O3/c1-3-8-12(14(18)19-4-2)15-16-13(17)11-9-6-5-7-10-11/h3,5-7,9-10,12,15H,1,4,8H2,2H3,(H,16,17)/t12-/m1/s1
InChIKeyGSHROOOPSWZDLA-GFCCVEGCSA-N
MW262.31 g/mol
LogP1.43
Rot. Bonds7

About ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate

ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate (PubChem CID 11184582) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate
PubChem CID11184582
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate
SMILESC=CC[C@@H](NNC(=O)c1ccccc1)C(=O)OCC
InChIInChI=1S/C14H18N2O3/c1-3-8-12(14(18)19-4-2)15-16-13(17)11-9-6-5-7-10-11/h3,5-7,9-10,12,15H,1,4,8H2,2H3,(H,16,17)/t12-/m1/s1
InChIKeyGSHROOOPSWZDLA-GFCCVEGCSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate?
The IUPAC name of ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate (CID 11184582) is ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate.
What is the SMILES notation for ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate?
The canonical SMILES for ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate is C=CC[C@@H](NNC(=O)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate?
The InChIKey is GSHROOOPSWZDLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-8-12(14(18)19-4-2)15-16-13(17)11-9-6-5-7-10-11/h3,5-7,9-10,12,15H,1,4,8H2,2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate?
ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate has a molecular weight of 262.31 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-benzoylhydrazinyl)pent-4-enoate is sourced from PubChem (CID 11184582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).