ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate

C15H22N2O2 — CID 5377178

IUPACethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-6-19-14(18)11(2)16-17-13-9-7-12(8-10-13)15(3,4)5/h7-10,17H,6H2,1-5H3/b16-11+
InChIKeyOMEJRDAUYRQCRR-LFIBNONCSA-N
MW262.35 g/mol
LogP3.34
Rot. Bonds4

About ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate

ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate (PubChem CID 5377178) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
PubChem CID5377178
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-6-19-14(18)11(2)16-17-13-9-7-12(8-10-13)15(3,4)5/h7-10,17H,6H2,1-5H3/b16-11+
InChIKeyOMEJRDAUYRQCRR-LFIBNONCSA-N
XLogP3.34
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 ≤ 53.34
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-[[4-[(1S)-1-cyano-3-methyl-2-oxo-1-phenylbutyl]phenyl]hydrazinylidene]propanoate
CID 42108517
ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate
CID 172554704
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl 2-(acridin-3-ylhydrazinylidene)propanoate
CID 23267688
ethyl (2E)-2-[(3-nitrophenyl)hydrazinylidene]propanoate
CID 5357576
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-[[2-(2,2-dimethylpropyl)-4-fluorophenyl]hydrazinylidene]propanoate
CID 146363539
ethyl (2Z)-2-[(2-fluoro-5-methylphenyl)hydrazinylidene]propanoate
CID 87824390
ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate
CID 87613195
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate
CID 18735268

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate?
The IUPAC name of ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate (CID 5377178) is ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate is CCOC(=O)/C(C)=N/Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate?
The InChIKey is OMEJRDAUYRQCRR-LFIBNONCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-6-19-14(18)11(2)16-17-13-9-7-12(8-10-13)15(3,4)5/h7-10,17H,6H2,1-5H3/b16-11+.
What are the key properties of ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate?
ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate has a molecular weight of 262.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 5377178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).