methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate

C15H11NO5 — CID 2628319

IUPACmethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C15H11NO5/c1-20-15(19)12-7-6-9(21-12)8-16-13(17)10-4-2-3-5-11(10)14(16)18/h2-7H,8H2,1H3
InChIKeyLUEYAWQCPSCVNH-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.86
Rot. Bonds3

About methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate

methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate (PubChem CID 2628319) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate
PubChem CID2628319
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Namemethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C15H11NO5/c1-20-15(19)12-7-6-9(21-12)8-16-13(17)10-4-2-3-5-11(10)14(16)18/h2-7H,8H2,1H3
InChIKeyLUEYAWQCPSCVNH-UHFFFAOYSA-N
XLogP1.86
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate (CID 2628319) is methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)o1.
What is the InChIKey of methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate?
The InChIKey is LUEYAWQCPSCVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c1-20-15(19)12-7-6-9(21-12)8-16-13(17)10-4-2-3-5-11(10)14(16)18/h2-7H,8H2,1H3.
What are the key properties of methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate?
methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate has a molecular weight of 285.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 2628319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).