ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate

C15H17N3O4 — CID 89247455

IUPACethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate
SMILESCCOC(=O)c1ccc(C2=CCC(/C=N/NC(N)=O)O2)cc1
InChIInChI=1S/C15H17N3O4/c1-2-21-14(19)11-5-3-10(4-6-11)13-8-7-12(22-13)9-17-18-15(16)20/h3-6,8-9,12H,2,7H2,1H3,(H3,16,18,20)/b17-9+
InChIKeyQLHMAKWLIXWLBB-RQZCQDPDSA-N
MW303.32 g/mol
LogP1.65
Rot. Bonds5

About ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate

ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate (PubChem CID 89247455) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate
PubChem CID89247455
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nameethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate
SMILESCCOC(=O)c1ccc(C2=CCC(/C=N/NC(N)=O)O2)cc1
InChIInChI=1S/C15H17N3O4/c1-2-21-14(19)11-5-3-10(4-6-11)13-8-7-12(22-13)9-17-18-15(16)20/h3-6,8-9,12H,2,7H2,1H3,(H3,16,18,20)/b17-9+
InChIKeyQLHMAKWLIXWLBB-RQZCQDPDSA-N
XLogP1.65
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate?
The IUPAC name of ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate (CID 89247455) is ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate.
What is the SMILES notation for ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate?
The canonical SMILES for ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate is CCOC(=O)c1ccc(C2=CCC(/C=N/NC(N)=O)O2)cc1.
What is the InChIKey of ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate?
The InChIKey is QLHMAKWLIXWLBB-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-21-14(19)11-5-3-10(4-6-11)13-8-7-12(22-13)9-17-18-15(16)20/h3-6,8-9,12H,2,7H2,1H3,(H3,16,18,20)/b17-9+.
What are the key properties of ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate?
ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate has a molecular weight of 303.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(E)-(carbamoylhydrazinylidene)methyl]-2,3-dihydrofuran-5-yl]benzoate is sourced from PubChem (CID 89247455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).