[2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate

C15H14N2O6 — CID 6882950

IUPAC[2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESCOC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C15H14N2O6/c1-20-13-8-10(9-16-17-15(19)21-2)5-6-11(13)23-14(18)12-4-3-7-22-12/h3-9H,1-2H3,(H,17,19)/b16-9+
InChIKeyIMTNPTJNVDVKCQ-CXUHLZMHSA-N
MW318.29 g/mol
LogP2.20
Rot. Bonds5

About [2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate

[2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (PubChem CID 6882950) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
PubChem CID6882950
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name[2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESCOC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C15H14N2O6/c1-20-13-8-10(9-16-17-15(19)21-2)5-6-11(13)23-14(18)12-4-3-7-22-12/h3-9H,1-2H3,(H,17,19)/b16-9+
InChIKeyIMTNPTJNVDVKCQ-CXUHLZMHSA-N
XLogP2.20
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.20
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-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The IUPAC name of [2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (CID 6882950) is [2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is COC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of [2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The InChIKey is IMTNPTJNVDVKCQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O6/c1-20-13-8-10(9-16-17-15(19)21-2)5-6-11(13)23-14(18)12-4-3-7-22-12/h3-9H,1-2H3,(H,17,19)/b16-9+.
What are the key properties of [2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
[2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate has a molecular weight of 318.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 6882950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).