2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione

C18H16N2O2 — CID 67133552

IUPAC2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1CC[C@@H](c2ccccn2)C1
InChIInChI=1S/C18H16N2O2/c21-17-14-5-1-2-6-15(14)18(22)20(17)13-9-8-12(11-13)16-7-3-4-10-19-16/h1-7,10,12-13H,8-9,11H2/t12-,13+/m1/s1
InChIKeyVBZHZCADSMSEBG-OLZOCXBDSA-N
MW292.34 g/mol
LogP3.01
Rot. Bonds2

About 2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione

2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione (PubChem CID 67133552) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione
PubChem CID67133552
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1CC[C@@H](c2ccccn2)C1
InChIInChI=1S/C18H16N2O2/c21-17-14-5-1-2-6-15(14)18(22)20(17)13-9-8-12(11-13)16-7-3-4-10-19-16/h1-7,10,12-13H,8-9,11H2/t12-,13+/m1/s1
InChIKeyVBZHZCADSMSEBG-OLZOCXBDSA-N
XLogP3.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.01
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-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione (CID 67133552) is 2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@H]1CC[C@@H](c2ccccn2)C1.
What is the InChIKey of 2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione?
The InChIKey is VBZHZCADSMSEBG-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17-14-5-1-2-6-15(14)18(22)20(17)13-9-8-12(11-13)16-7-3-4-10-19-16/h1-7,10,12-13H,8-9,11H2/t12-,13+/m1/s1.
What are the key properties of 2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione?
2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione has a molecular weight of 292.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-pyridin-2-ylcyclopentyl]isoindole-1,3-dione is sourced from PubChem (CID 67133552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).