methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate

C15H20N2O4 — CID 71148683

IUPACmethyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C/c1ccc(OCCCC(=O)NN)cc1
InChIInChI=1S/C15H20N2O4/c1-11(15(19)20-2)10-12-5-7-13(8-6-12)21-9-3-4-14(18)17-16/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18)/b11-10+
InChIKeyJKDZXEOJMPVTME-ZHACJKMWSA-N
MW292.34 g/mol
LogP1.41
Rot. Bonds7

About methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate

methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate (PubChem CID 71148683) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate
PubChem CID71148683
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C/c1ccc(OCCCC(=O)NN)cc1
InChIInChI=1S/C15H20N2O4/c1-11(15(19)20-2)10-12-5-7-13(8-6-12)21-9-3-4-14(18)17-16/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18)/b11-10+
InChIKeyJKDZXEOJMPVTME-ZHACJKMWSA-N
XLogP1.41
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-formylphenoxy)butanehydrazide
CID 63568719
4-(4-chlorophenoxy)butanehydrazide
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5-(4-formylphenoxy)pentanehydrazide
CID 63569079
4-[4-(3-oxobutyl)phenoxy]butanehydrazide
CID 63577003
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
methyl (E)-3-(4-bromophenyl)-2-methylprop-2-enoate
CID 16664756
3-(4-propoxyphenoxy)propanehydrazide
CID 63576064
methyl (E)-3-(4-dimethylphosphoryloxyphenyl)-2-methylprop-2-enoate
CID 118603699
4-[4-(cyanomethyl)phenoxy]butanehydrazide
CID 55213790
methyl (E)-3-(4-cyanophenyl)-2-methylprop-2-enoate
CID 101164622
prop-2-enyl (E)-2-methyl-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 131745000
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate?
The IUPAC name of methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate (CID 71148683) is methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate is COC(=O)/C(C)=C/c1ccc(OCCCC(=O)NN)cc1.
What is the InChIKey of methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate?
The InChIKey is JKDZXEOJMPVTME-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(15(19)20-2)10-12-5-7-13(8-6-12)21-9-3-4-14(18)17-16/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18)/b11-10+.
What are the key properties of methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate?
methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate has a molecular weight of 292.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate is sourced from PubChem (CID 71148683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).