2-spiro[2.4]heptan-7-ylisoindole-1,3-dione

C15H15NO2 — CID 166117864

IUPAC2-spiro[2.4]heptan-7-ylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCC12CC2
InChIInChI=1S/C15H15NO2/c17-13-10-4-1-2-5-11(10)14(18)16(13)12-6-3-7-15(12)8-9-15/h1-2,4-5,12H,3,6-9H2
InChIKeyOBYMTRXWGBZPBZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.62
Rot. Bonds1

About 2-spiro[2.4]heptan-7-ylisoindole-1,3-dione

2-spiro[2.4]heptan-7-ylisoindole-1,3-dione (PubChem CID 166117864) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-spiro[2.4]heptan-7-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-spiro[2.4]heptan-7-ylisoindole-1,3-dione
PubChem CID166117864
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-spiro[2.4]heptan-7-ylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCC12CC2
InChIInChI=1S/C15H15NO2/c17-13-10-4-1-2-5-11(10)14(18)16(13)12-6-3-7-15(12)8-9-15/h1-2,4-5,12H,3,6-9H2
InChIKeyOBYMTRXWGBZPBZ-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-spiro[2.4]heptan-7-ylisoindole-1,3-dione?
The IUPAC name of 2-spiro[2.4]heptan-7-ylisoindole-1,3-dione (CID 166117864) is 2-spiro[2.4]heptan-7-ylisoindole-1,3-dione.
What is the SMILES notation for 2-spiro[2.4]heptan-7-ylisoindole-1,3-dione?
The canonical SMILES for 2-spiro[2.4]heptan-7-ylisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CCCC12CC2.
What is the InChIKey of 2-spiro[2.4]heptan-7-ylisoindole-1,3-dione?
The InChIKey is OBYMTRXWGBZPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-13-10-4-1-2-5-11(10)14(18)16(13)12-6-3-7-15(12)8-9-15/h1-2,4-5,12H,3,6-9H2.
What are the key properties of 2-spiro[2.4]heptan-7-ylisoindole-1,3-dione?
2-spiro[2.4]heptan-7-ylisoindole-1,3-dione has a molecular weight of 241.29 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[2.4]heptan-7-ylisoindole-1,3-dione is sourced from PubChem (CID 166117864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).