(1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate

C15H11NO5 — CID 16604811

IUPAC(1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C15H11NO5/c1-9-6-7-12(21-9)15(19)20-8-16-13(17)10-4-2-3-5-11(10)14(16)18/h2-7H,8H2,1H3
InChIKeyGEKZZVAMBGUBAX-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.00
Rot. Bonds3

About (1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate

(1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate (PubChem CID 16604811) has the molecular formula C15H11NO5 and a molecular weight of 285.25 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate
PubChem CID16604811
Molecular FormulaC15H11NO5
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C15H11NO5/c1-9-6-7-12(21-9)15(19)20-8-16-13(17)10-4-2-3-5-11(10)14(16)18/h2-7H,8H2,1H3
InChIKeyGEKZZVAMBGUBAX-UHFFFAOYSA-N
XLogP2.00
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.00
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 (1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate (CID 16604811) is (1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)o1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate?
The InChIKey is GEKZZVAMBGUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c1-9-6-7-12(21-9)15(19)20-8-16-13(17)10-4-2-3-5-11(10)14(16)18/h2-7H,8H2,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate?
(1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate has a molecular weight of 285.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 5-methylfuran-2-carboxylate is sourced from PubChem (CID 16604811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).