ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate

C12H16N2O3 — CID 174521725

IUPACethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate
SMILESCCOC(=O)c1ccc(C(C)NNC=O)cc1
InChIInChI=1S/C12H16N2O3/c1-3-17-12(16)11-6-4-10(5-7-11)9(2)14-13-8-15/h4-9,14H,3H2,1-2H3,(H,13,15)
InChIKeyYXNOZEVDSPSGDD-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.17
Rot. Bonds6

About ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate

ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate (PubChem CID 174521725) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate
PubChem CID174521725
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate
SMILESCCOC(=O)c1ccc(C(C)NNC=O)cc1
InChIInChI=1S/C12H16N2O3/c1-3-17-12(16)11-6-4-10(5-7-11)9(2)14-13-8-15/h4-9,14H,3H2,1-2H3,(H,13,15)
InChIKeyYXNOZEVDSPSGDD-UHFFFAOYSA-N
XLogP1.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
CID 19432093
ethyl 4-(1-benzamidoethyl)benzoate
CID 164679165
ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate
CID 43321719
ethyl 4-[(1S)-1-(4-bromoanilino)ethyl]benzoate;hydrochloride
CID 172883005
ethyl 4-(1-hydroxybutyl)benzoate
CID 67981039
ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate
CID 14425758
ethyl 4-(1-hydrazinylpentyl)benzoate
CID 58856235
ethyl 4-[(1S)-1-amino-2,2-dimethylpropyl]benzoate
CID 58417508
methyl 4-[1-(ethylamino)ethyl]benzoate
CID 170764116
ethyl 4-(1-amino-2,2-dimethylpropyl)benzoate
CID 58417255
ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate
CID 138971712
ethyl 4-(1-bromopropyl)benzoate
CID 145000592

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate?
The IUPAC name of ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate (CID 174521725) is ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate.
What is the SMILES notation for ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate?
The canonical SMILES for ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate is CCOC(=O)c1ccc(C(C)NNC=O)cc1.
What is the InChIKey of ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate?
The InChIKey is YXNOZEVDSPSGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-17-12(16)11-6-4-10(5-7-11)9(2)14-13-8-15/h4-9,14H,3H2,1-2H3,(H,13,15).
What are the key properties of ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate?
ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate has a molecular weight of 236.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2-formylhydrazinyl)ethyl]benzoate is sourced from PubChem (CID 174521725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).