methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate

C20H15NO4 — CID 2695510

IUPACmethyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CON=C2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C20H15NO4/c1-23-20(22)18-11-10-13(25-18)12-24-21-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-11H,12H2,1H3
InChIKeyCRZLZPBRIOJJNG-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.02
Rot. Bonds4

About methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate

methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate (PubChem CID 2695510) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate
PubChem CID2695510
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Namemethyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CON=C2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C20H15NO4/c1-23-20(22)18-11-10-13(25-18)12-24-21-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-11H,12H2,1H3
InChIKeyCRZLZPBRIOJJNG-UHFFFAOYSA-N
XLogP4.02
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
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 methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate (CID 2695510) is methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(CON=C2c3ccccc3-c3ccccc32)o1.
What is the InChIKey of methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate?
The InChIKey is CRZLZPBRIOJJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-23-20(22)18-11-10-13(25-18)12-24-21-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-11H,12H2,1H3.
What are the key properties of methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate?
methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(fluoren-9-ylideneamino)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2695510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).