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

C16H16N2O6 — CID 6073333

IUPAC[2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESCCOc1cc(/C=N\NC(=O)OC)ccc1OC(=O)c1ccco1
InChIInChI=1S/C16H16N2O6/c1-3-22-14-9-11(10-17-18-16(20)21-2)6-7-12(14)24-15(19)13-5-4-8-23-13/h4-10H,3H2,1-2H3,(H,18,20)/b17-10-
InChIKeyBVLBWKIUVMIJRQ-YVLHZVERSA-N
MW332.31 g/mol
LogP2.59
Rot. Bonds6

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

[2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (PubChem CID 6073333) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is [2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
PubChem CID6073333
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name[2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESCCOc1cc(/C=N\NC(=O)OC)ccc1OC(=O)c1ccco1
InChIInChI=1S/C16H16N2O6/c1-3-22-14-9-11(10-17-18-16(20)21-2)6-7-12(14)24-15(19)13-5-4-8-23-13/h4-10H,3H2,1-2H3,(H,18,20)/b17-10-
InChIKeyBVLBWKIUVMIJRQ-YVLHZVERSA-N
XLogP2.59
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 [2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The IUPAC name of [2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (CID 6073333) is [2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is CCOc1cc(/C=N\NC(=O)OC)ccc1OC(=O)c1ccco1.
What is the InChIKey of [2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The InChIKey is BVLBWKIUVMIJRQ-YVLHZVERSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-3-22-14-9-11(10-17-18-16(20)21-2)6-7-12(14)24-15(19)13-5-4-8-23-13/h4-10H,3H2,1-2H3,(H,18,20)/b17-10-.
What are the key properties of [2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
[2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate has a molecular weight of 332.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-4-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 6073333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).