propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate

C11H14N2O4 — CID 6183681

IUPACpropyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate
SMILESCCCOC(=O)/C(C)=N\NC(=O)c1ccco1
InChIInChI=1S/C11H14N2O4/c1-3-6-17-11(15)8(2)12-13-10(14)9-5-4-7-16-9/h4-5,7H,3,6H2,1-2H3,(H,13,14)/b12-8-
InChIKeyKTRGVNIYAWGYIT-WQLSENKSSA-N
MW238.24 g/mol
LogP1.34
Rot. Bonds5

About propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate

propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate (PubChem CID 6183681) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate.

Molecular Properties

Compound Namepropyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate
PubChem CID6183681
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namepropyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate
SMILESCCCOC(=O)/C(C)=N\NC(=O)c1ccco1
InChIInChI=1S/C11H14N2O4/c1-3-6-17-11(15)8(2)12-13-10(14)9-5-4-7-16-9/h4-5,7H,3,6H2,1-2H3,(H,13,14)/b12-8-
InChIKeyKTRGVNIYAWGYIT-WQLSENKSSA-N
XLogP1.34
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.34
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

2-Furancarboxylic acid, hydrazide
CID 18731
N'-(1-ethyl-4-piperidinylidene)-2-furohydrazide
CID 840590
N-(tert-butyl)-3-(2-furoylhydrazono)butanamide
CID 5822222
N',N'''-Ethanediylidenebis(2-furohydrazide)
CID 6898804
N'-(1-methyl-4-piperidinylidene)-2-furohydrazide
CID 868151
N'-(4-tert-butylcyclohexylidene)-2-furohydrazide
CID 831804
N'~2~,N'~5~-bis[1-(2-furyl)ethylidene]-2,5-furandicarbohydrazide
CID 5430472
ethyl [(2E)-2-(furan-2-ylmethylidene)hydrazinyl](oxo)acetate
CID 6148855
N'-bicyclo[3.2.0]hept-2-en-6-ylidene-2-furohydrazide
CID 9645018
N''-butylfuran-2-carbohydrazide
CID 142329688
N'-(furan-2-carbonyl)furan-2-carbohydrazide
CID 393334
N'-acetylfuran-2-carbohydrazide
CID 463776

Frequently Asked Questions

What is the IUPAC name of propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate?
The IUPAC name of propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate (CID 6183681) is propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate.
What is the SMILES notation for propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate?
The canonical SMILES for propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate is CCCOC(=O)/C(C)=N\NC(=O)c1ccco1.
What is the InChIKey of propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate?
The InChIKey is KTRGVNIYAWGYIT-WQLSENKSSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-6-17-11(15)8(2)12-13-10(14)9-5-4-7-16-9/h4-5,7H,3,6H2,1-2H3,(H,13,14)/b12-8-.
What are the key properties of propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate?
propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate has a molecular weight of 238.24 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2Z)-2-(furan-2-carbonylhydrazinylidene)propanoate is sourced from PubChem (CID 6183681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).