2-(oxolan-2-ylmethyl)isoindole-1,3-dione

C13H13NO3 — CID 2883188

IUPAC2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1CCCO1
InChIInChI=1S/C13H13NO3/c15-12-10-5-1-2-6-11(10)13(16)14(12)8-9-4-3-7-17-9/h1-2,5-6,9H,3-4,7-8H2
InChIKeyZNBXDWLLIYOFNP-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.46
Rot. Bonds2

About 2-(oxolan-2-ylmethyl)isoindole-1,3-dione

2-(oxolan-2-ylmethyl)isoindole-1,3-dione (PubChem CID 2883188) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)isoindole-1,3-dione
PubChem CID2883188
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1CCCO1
InChIInChI=1S/C13H13NO3/c15-12-10-5-1-2-6-11(10)13(16)14(12)8-9-4-3-7-17-9/h1-2,5-6,9H,3-4,7-8H2
InChIKeyZNBXDWLLIYOFNP-UHFFFAOYSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(oxolan-2-ylmethyl)isoindole-1,3-dione (CID 2883188) is 2-(oxolan-2-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(oxolan-2-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The InChIKey is ZNBXDWLLIYOFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12-10-5-1-2-6-11(10)13(16)14(12)8-9-4-3-7-17-9/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
2-(oxolan-2-ylmethyl)isoindole-1,3-dione has a molecular weight of 231.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 2883188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).