2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione

C15H15NO2 — CID 70982058

IUPAC2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1C=CCCCC1
InChIInChI=1S/C15H15NO2/c17-14-12-9-5-6-10-13(12)15(18)16(14)11-7-3-1-2-4-8-11/h3,5-7,9-11H,1-2,4,8H2/t11-/m0/s1
InChIKeyGOFUJHOEGLSFNH-NSHDSACASA-N
MW241.29 g/mol
LogP2.78
Rot. Bonds1

About 2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione

2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione (PubChem CID 70982058) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione
PubChem CID70982058
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1C=CCCCC1
InChIInChI=1S/C15H15NO2/c17-14-12-9-5-6-10-13(12)15(18)16(14)11-7-3-1-2-4-8-11/h3,5-7,9-11H,1-2,4,8H2/t11-/m0/s1
InChIKeyGOFUJHOEGLSFNH-NSHDSACASA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione (CID 70982058) is 2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@H]1C=CCCCC1.
What is the InChIKey of 2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione?
The InChIKey is GOFUJHOEGLSFNH-NSHDSACASA-N. The full InChI is InChI=1S/C15H15NO2/c17-14-12-9-5-6-10-13(12)15(18)16(14)11-7-3-1-2-4-8-11/h3,5-7,9-11H,1-2,4,8H2/t11-/m0/s1.
What are the key properties of 2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione?
2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione has a molecular weight of 241.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclohept-2-en-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 70982058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).