ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate

C10H16N2O5 — CID 87585640

IUPACethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N/N=C(\C)C(=O)OCC
InChIInChI=1S/C10H16N2O5/c1-4-16-9(14)6-8(13)12-11-7(3)10(15)17-5-2/h4-6H2,1-3H3,(H,12,13)/b11-7+
InChIKeyYBHMAEZMQIPGJT-YRNVUSSQSA-N
MW244.25 g/mol
LogP-0.01
Rot. Bonds6

About ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate

ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate (PubChem CID 87585640) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate
PubChem CID87585640
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Nameethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N/N=C(\C)C(=O)OCC
InChIInChI=1S/C10H16N2O5/c1-4-16-9(14)6-8(13)12-11-7(3)10(15)17-5-2/h4-6H2,1-3H3,(H,12,13)/b11-7+
InChIKeyYBHMAEZMQIPGJT-YRNVUSSQSA-N
XLogP-0.01
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate 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 5-Hydroxy-2-methyl-2H-1,2,3-triazole-4-carboxylate
CID 127041109
ethyl 3-[(2Z)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate
CID 5977891
Ethyl 3-[2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate
CID 300156
Ethyl 2-[(3-ethoxy-3-oxopropanoyl)hydrazinylidene]-3,3-dimethylbutanoate
CID 87585632
ethyl 3-oxo-3-[(2E)-2-(3-oxobutan-2-ylidene)hydrazinyl]propanoate
CID 135195995
3-[(2Z)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoic acid
CID 141213876
N-(propan-2-ylideneamino)-3-propoxypropanamide
CID 172155241
Diethyl 2-(2-methylpropanoylhydrazinylidene)propanedioate
CID 174670245
Ethyl 3-oxo-3-[2-(3-oxobutan-2-ylidene)hydrazinyl]propanoate
CID 174986773
ethyl (3E)-3-amino-3-[(3-ethoxy-3-oxopropanoyl)hydrazinylidene]propanoate
CID 134111598

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate?
The IUPAC name of ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate (CID 87585640) is ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate is CCOC(=O)CC(=O)N/N=C(\C)C(=O)OCC.
What is the InChIKey of ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate?
The InChIKey is YBHMAEZMQIPGJT-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-4-16-9(14)6-8(13)12-11-7(3)10(15)17-5-2/h4-6H2,1-3H3,(H,12,13)/b11-7+.
What are the key properties of ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate?
ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate has a molecular weight of 244.25 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate is sourced from PubChem (CID 87585640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).