methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate

C15H15N3O5 — CID 6880312

IUPACmethyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccccc2/C=N/NC(N)=O)o1
InChIInChI=1S/C15H15N3O5/c1-21-14(19)13-7-6-11(23-13)9-22-12-5-3-2-4-10(12)8-17-18-15(16)20/h2-8H,9H2,1H3,(H3,16,18,20)/b17-8+
InChIKeyKFFPZKKNFUGOKS-CAOOACKPSA-N
MW317.30 g/mol
LogP1.65
Rot. Bonds6

About methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate

methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate (PubChem CID 6880312) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate
PubChem CID6880312
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Namemethyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccccc2/C=N/NC(N)=O)o1
InChIInChI=1S/C15H15N3O5/c1-21-14(19)13-7-6-11(23-13)9-22-12-5-3-2-4-10(12)8-17-18-15(16)20/h2-8H,9H2,1H3,(H3,16,18,20)/b17-8+
InChIKeyKFFPZKKNFUGOKS-CAOOACKPSA-N
XLogP1.65
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate (CID 6880312) is methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccccc2/C=N/NC(N)=O)o1.
What is the InChIKey of methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate?
The InChIKey is KFFPZKKNFUGOKS-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-21-14(19)13-7-6-11(23-13)9-22-12-5-3-2-4-10(12)8-17-18-15(16)20/h2-8H,9H2,1H3,(H3,16,18,20)/b17-8+.
What are the key properties of methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate?
methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate has a molecular weight of 317.30 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 6880312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).