diethyl 3-(acetylhydrazinylidene)pentanedioate

C11H18N2O5 — CID 3383221

IUPACdiethyl 3-(acetylhydrazinylidene)pentanedioate
SMILESCCOC(=O)CC(CC(=O)OCC)=NNC(C)=O
InChIInChI=1S/C11H18N2O5/c1-4-17-10(15)6-9(13-12-8(3)14)7-11(16)18-5-2/h4-7H2,1-3H3,(H,12,14)
InChIKeyAJMHNQDUFBFNJX-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.38
Rot. Bonds7

About diethyl 3-(acetylhydrazinylidene)pentanedioate

diethyl 3-(acetylhydrazinylidene)pentanedioate (PubChem CID 3383221) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is diethyl 3-(acetylhydrazinylidene)pentanedioate.

Molecular Properties

Compound Namediethyl 3-(acetylhydrazinylidene)pentanedioate
PubChem CID3383221
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namediethyl 3-(acetylhydrazinylidene)pentanedioate
SMILESCCOC(=O)CC(CC(=O)OCC)=NNC(C)=O
InChIInChI=1S/C11H18N2O5/c1-4-17-10(15)6-9(13-12-8(3)14)7-11(16)18-5-2/h4-7H2,1-3H3,(H,12,14)
InChIKeyAJMHNQDUFBFNJX-UHFFFAOYSA-N
XLogP0.38
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-(acetylhydrazinylidene)-3-aminopropanoate
CID 73177102
ethyl (Z,3E)-3-(acetylhydrazinylidene)-4-(ethylideneamino)hex-4-enoate
CID 123312494
ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate
CID 5385390
ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate
CID 566543
diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;ethane
CID 123991095
ethyl 3-bromo-3-oxopropanoate
CID 19802399
ethyl 3-oxobutanoate;λ2-stannane
CID 175443990
cobalt;ethyl 3-oxobutanoate
CID 87182205
bis(ethyl 3-oxobutanoate);methane
CID 161351489
chromium(2+);ethyl 3-oxobutanoate
CID 19859999
Tris(ethylacetoacetato)aluminium
CID 6333145

Frequently Asked Questions

What is the IUPAC name of diethyl 3-(acetylhydrazinylidene)pentanedioate?
The IUPAC name of diethyl 3-(acetylhydrazinylidene)pentanedioate (CID 3383221) is diethyl 3-(acetylhydrazinylidene)pentanedioate.
What is the SMILES notation for diethyl 3-(acetylhydrazinylidene)pentanedioate?
The canonical SMILES for diethyl 3-(acetylhydrazinylidene)pentanedioate is CCOC(=O)CC(CC(=O)OCC)=NNC(C)=O.
What is the InChIKey of diethyl 3-(acetylhydrazinylidene)pentanedioate?
The InChIKey is AJMHNQDUFBFNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-4-17-10(15)6-9(13-12-8(3)14)7-11(16)18-5-2/h4-7H2,1-3H3,(H,12,14).
What are the key properties of diethyl 3-(acetylhydrazinylidene)pentanedioate?
diethyl 3-(acetylhydrazinylidene)pentanedioate has a molecular weight of 258.27 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(acetylhydrazinylidene)pentanedioate is sourced from PubChem (CID 3383221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).