ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate

C15H20N2O3 — CID 11242860

IUPACethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate
SMILESC=C[C@H](C)[C@@H](NNC(=O)c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H20N2O3/c1-4-11(3)13(15(19)20-5-2)16-17-14(18)12-9-7-6-8-10-12/h4,6-11,13,16H,1,5H2,2-3H3,(H,17,18)/t11-,13+/m0/s1
InChIKeyOHXKZMLRIOLZNE-WCQYABFASA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds7

About ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate

ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate (PubChem CID 11242860) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate
PubChem CID11242860
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate
SMILESC=C[C@H](C)[C@@H](NNC(=O)c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H20N2O3/c1-4-11(3)13(15(19)20-5-2)16-17-14(18)12-9-7-6-8-10-12/h4,6-11,13,16H,1,5H2,2-3H3,(H,17,18)/t11-,13+/m0/s1
InChIKeyOHXKZMLRIOLZNE-WCQYABFASA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
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,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate?
The IUPAC name of ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate (CID 11242860) is ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate.
What is the SMILES notation for ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate?
The canonical SMILES for ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate is C=C[C@H](C)[C@@H](NNC(=O)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate?
The InChIKey is OHXKZMLRIOLZNE-WCQYABFASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-11(3)13(15(19)20-5-2)16-17-14(18)12-9-7-6-8-10-12/h4,6-11,13,16H,1,5H2,2-3H3,(H,17,18)/t11-,13+/m0/s1.
What are the key properties of ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate?
ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate has a molecular weight of 276.34 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-(2-benzoylhydrazinyl)-3-methylpent-4-enoate is sourced from PubChem (CID 11242860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).