ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate

C12H16N2O3 — CID 85436397

IUPACethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)C(C)=NNc1ccccc1OC
InChIInChI=1S/C12H16N2O3/c1-4-17-12(15)9(2)13-14-10-7-5-6-8-11(10)16-3/h5-8,14H,4H2,1-3H3
InChIKeyULTVEHQEMFNIMQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.05
Rot. Bonds5

About ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate

ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate (PubChem CID 85436397) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
PubChem CID85436397
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
SMILESCCOC(=O)C(C)=NNc1ccccc1OC
InChIInChI=1S/C12H16N2O3/c1-4-17-12(15)9(2)13-14-10-7-5-6-8-11(10)16-3/h5-8,14H,4H2,1-3H3
InChIKeyULTVEHQEMFNIMQ-UHFFFAOYSA-N
XLogP2.05
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2E,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2-methoxyphenyl)hydrazinylidene]butanoate
CID 98518100
ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate
CID 87613195
ethyl (2E)-2-[(2-bromo-4-methoxyphenyl)hydrazinylidene]propanoate
CID 118341164
2-methoxy-N-(pentan-3-ylideneamino)aniline
CID 154461263
ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate
CID 6416707
ethyl (2Z)-2-[(2-fluoro-5-methylphenyl)hydrazinylidene]propanoate
CID 87824390
ethyl (2E)-2-[[2-(2,2-dimethylpropyl)-4-fluorophenyl]hydrazinylidene]propanoate
CID 146363539
ethyl (2E)-2-[(2,3,4,5-tetramethylphenyl)hydrazinylidene]propanoate
CID 18735268
ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
CID 5377178
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
2-methoxy-N-(1-phenylpropylideneamino)aniline
CID 4990913

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate?
The IUPAC name of ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate (CID 85436397) is ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate is CCOC(=O)C(C)=NNc1ccccc1OC.
What is the InChIKey of ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate?
The InChIKey is ULTVEHQEMFNIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-17-12(15)9(2)13-14-10-7-5-6-8-11(10)16-3/h5-8,14H,4H2,1-3H3.
What are the key properties of ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate?
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate has a molecular weight of 236.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate is sourced from PubChem (CID 85436397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).