ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate

C9H16N2O4 — CID 566543

IUPACethyl 3-(ethoxycarbonylhydrazinylidene)butanoate
SMILESCCOC(=O)CC(C)=NNC(=O)OCC
InChIInChI=1S/C9H16N2O4/c1-4-14-8(12)6-7(3)10-11-9(13)15-5-2/h4-6H2,1-3H3,(H,11,13)
InChIKeyUVJGRTNANVBRQA-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.06
Rot. Bonds5

About ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate

ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate (PubChem CID 566543) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate.

Molecular Properties

Compound Nameethyl 3-(ethoxycarbonylhydrazinylidene)butanoate
PubChem CID566543
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nameethyl 3-(ethoxycarbonylhydrazinylidene)butanoate
SMILESCCOC(=O)CC(C)=NNC(=O)OCC
InChIInChI=1S/C9H16N2O4/c1-4-14-8(12)6-7(3)10-11-9(13)15-5-2/h4-6H2,1-3H3,(H,11,13)
InChIKeyUVJGRTNANVBRQA-UHFFFAOYSA-N
XLogP1.06
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.06
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 (3E)-3-(carbamoylhydrazinylidene)butanoate
CID 5385390
ethyl N-(dimethoxymethylideneamino)carbamate
CID 151130925
methyl 3-(methoxycarbonylhydrazinylidene)butanoate
CID 170986188
methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate
CID 121226690
ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate
CID 137234542
ethyl 3-[(2,2-diphenylacetyl)hydrazinylidene]butanoate
CID 5235371
diethyl 3-(acetylhydrazinylidene)pentanedioate
CID 3383221
ethyl N-nitrosocarbamate
CID 19911416
ethyl 3-(acetylhydrazinylidene)-3-aminopropanoate
CID 73177102
ethyl (3Z)-3-[(4-anilino-4-oxobutanoyl)hydrazinylidene]butanoate
CID 6151884
diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;ethane
CID 123991095

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate?
The IUPAC name of ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate (CID 566543) is ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate.
What is the SMILES notation for ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate?
The canonical SMILES for ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate is CCOC(=O)CC(C)=NNC(=O)OCC.
What is the InChIKey of ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate?
The InChIKey is UVJGRTNANVBRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-4-14-8(12)6-7(3)10-11-9(13)15-5-2/h4-6H2,1-3H3,(H,11,13).
What are the key properties of ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate?
ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate has a molecular weight of 216.24 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate is sourced from PubChem (CID 566543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).