ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate

C15H22N2O2 — CID 18735268

IUPACethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C15H22N2O2/c1-7-19-15(18)13(6)16-17-14-8-9(2)10(3)11(4)12(14)5/h8,17H,7H2,1-6H3/b16-13+
InChIKeyMOZYLBKHOAFSGS-DTQAZKPQSA-N
MW262.35 g/mol
LogP3.27
Rot. Bonds4

About ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate

ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate (PubChem CID 18735268) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate
PubChem CID18735268
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1cc(C)c(C)c(C)c1C
InChIInChI=1S/C15H22N2O2/c1-7-19-15(18)13(6)16-17-14-8-9(2)10(3)11(4)12(14)5/h8,17H,7H2,1-6H3/b16-13+
InChIKeyMOZYLBKHOAFSGS-DTQAZKPQSA-N
XLogP3.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-2-[(2-fluoro-5-methylphenyl)hydrazinylidene]propanoate
CID 87824390
ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate
CID 87613195
ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate
CID 177479961
ethyl (2E)-2-[(4-bromo-2-ethylphenyl)hydrazinylidene]propanoate
CID 75480535
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
ethyl (2Z)-2-[(2-bromo-3,4-difluorophenyl)hydrazinylidene]propanoate
CID 140687018
ethyl (2E)-2-[(2-bromo-4-methoxyphenyl)hydrazinylidene]propanoate
CID 118341164
ethyl (2E)-2-[[2-(2,2-dimethylpropyl)-4-fluorophenyl]hydrazinylidene]propanoate
CID 146363539
ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate
CID 87585640
ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
CID 5377178
N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294
ethyl (2E)-2-[(3-nitrophenyl)hydrazinylidene]propanoate
CID 5357576

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate?
The IUPAC name of ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate (CID 18735268) is ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate is CCOC(=O)/C(C)=N/Nc1cc(C)c(C)c(C)c1C.
What is the InChIKey of ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate?
The InChIKey is MOZYLBKHOAFSGS-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-7-19-15(18)13(6)16-17-14-8-9(2)10(3)11(4)12(14)5/h8,17H,7H2,1-6H3/b16-13+.
What are the key properties of ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate?
ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate has a molecular weight of 262.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 18735268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).