propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate

C15H20N2O3 — CID 23154580

IUPACpropan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate
SMILESC=CCC(NNC(=O)c1ccccc1)C(=O)OC(C)C
InChIInChI=1S/C15H20N2O3/c1-4-8-13(15(19)20-11(2)3)16-17-14(18)12-9-6-5-7-10-12/h4-7,9-11,13,16H,1,8H2,2-3H3,(H,17,18)
InChIKeyYFRVTPFSVCLALB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.82
Rot. Bonds7

About propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate

propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate (PubChem CID 23154580) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate
PubChem CID23154580
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namepropan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate
SMILESC=CCC(NNC(=O)c1ccccc1)C(=O)OC(C)C
InChIInChI=1S/C15H20N2O3/c1-4-8-13(15(19)20-11(2)3)16-17-14(18)12-9-6-5-7-10-12/h4-7,9-11,13,16H,1,8H2,2-3H3,(H,17,18)
InChIKeyYFRVTPFSVCLALB-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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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Related Compounds

N'-hept-1-en-4-ylbenzohydrazide
CID 77139407
3-propan-2-yloxycarbonylhex-5-en-2-yl benzoate
CID 69305019
prop-2-enyl 2-benzamidopropanoate
CID 2910482
N'-[(4S)-undec-1-en-4-yl]benzohydrazide
CID 142708092
ethyl 2-(2-benzoylhydrazinyl)propanoate
CID 19432092
N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide
CID 15422396
N-(1-methoxybut-3-enyl)benzamide
CID 3700027
benzyl N-[(2S)-3-(2-benzoylhydrazinyl)-1-phenylhex-5-en-2-yl]carbamate
CID 10551237
N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide
CID 139242060
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
benzyl N-[(2R)-1-oxo-1-phenylpent-4-en-2-yl]carbamate
CID 86614018
prop-2-enyl (3S)-3-benzamido-4-methylpentanoate
CID 101384499

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate?
The IUPAC name of propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate (CID 23154580) is propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate.
What is the SMILES notation for propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate?
The canonical SMILES for propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate is C=CCC(NNC(=O)c1ccccc1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate?
The InChIKey is YFRVTPFSVCLALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-8-13(15(19)20-11(2)3)16-17-14(18)12-9-6-5-7-10-12/h4-7,9-11,13,16H,1,8H2,2-3H3,(H,17,18).
What are the key properties of propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate?
propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate has a molecular weight of 276.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate is sourced from PubChem (CID 23154580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).