ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate

C9H10N2O4 — CID 6148855

IUPACethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N/N=C/c1ccco1
InChIInChI=1S/C9H10N2O4/c1-2-14-9(13)8(12)11-10-6-7-4-3-5-15-7/h3-6H,2H2,1H3,(H,11,12)/b10-6+
InChIKeyVDEJOKXCWVHBQU-UXBLZVDNSA-N
MW210.19 g/mol
LogP0.29
Rot. Bonds3

About ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate

ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate (PubChem CID 6148855) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate
PubChem CID6148855
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Nameethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N/N=C/c1ccco1
InChIInChI=1S/C9H10N2O4/c1-2-14-9(13)8(12)11-10-6-7-4-3-5-15-7/h3-6H,2H2,1H3,(H,11,12)/b10-6+
InChIKeyVDEJOKXCWVHBQU-UXBLZVDNSA-N
XLogP0.29
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate (CID 6148855) is ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate is CCOC(=O)C(=O)N/N=C/c1ccco1.
What is the InChIKey of ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate?
The InChIKey is VDEJOKXCWVHBQU-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-2-14-9(13)8(12)11-10-6-7-4-3-5-15-7/h3-6H,2H2,1H3,(H,11,12)/b10-6+.
What are the key properties of ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate?
ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate has a molecular weight of 210.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 6148855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).