[4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate

C15H14N2O5 — CID 6265173

IUPAC[4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESCCOC(=O)N/N=C\c1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C15H14N2O5/c1-2-20-15(19)17-16-10-11-5-7-12(8-6-11)22-14(18)13-4-3-9-21-13/h3-10H,2H2,1H3,(H,17,19)/b16-10-
InChIKeyADQBRROTEVSXRT-YBEGLDIGSA-N
MW302.29 g/mol
LogP2.58
Rot. Bonds5

About [4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate

[4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (PubChem CID 6265173) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is [4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
PubChem CID6265173
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name[4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESCCOC(=O)N/N=C\c1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C15H14N2O5/c1-2-20-15(19)17-16-10-11-5-7-12(8-6-11)22-14(18)13-4-3-9-21-13/h3-10H,2H2,1H3,(H,17,19)/b16-10-
InChIKeyADQBRROTEVSXRT-YBEGLDIGSA-N
XLogP2.58
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.58
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The IUPAC name of [4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (CID 6265173) is [4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is CCOC(=O)N/N=C\c1ccc(OC(=O)c2ccco2)cc1.
What is the InChIKey of [4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The InChIKey is ADQBRROTEVSXRT-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-2-20-15(19)17-16-10-11-5-7-12(8-6-11)22-14(18)13-4-3-9-21-13/h3-10H,2H2,1H3,(H,17,19)/b16-10-.
What are the key properties of [4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
[4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate has a molecular weight of 302.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 6265173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).