2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione

C16H16N2O3 — CID 154981394

IUPAC2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione
SMILESO=C1C[C@]2(CN3C(=O)c4ccccc4C3=O)CCC[C@@H]2N1
InChIInChI=1S/C16H16N2O3/c19-13-8-16(7-3-6-12(16)17-13)9-18-14(20)10-4-1-2-5-11(10)15(18)21/h1-2,4-5,12H,3,6-9H2,(H,17,19)/t12-,16-/m0/s1
InChIKeyFOKDMBZEECFJFJ-LRDDRELGSA-N
MW284.31 g/mol
LogP1.34
Rot. Bonds2

About 2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione

2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione (PubChem CID 154981394) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione
PubChem CID154981394
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione
SMILESO=C1C[C@]2(CN3C(=O)c4ccccc4C3=O)CCC[C@@H]2N1
InChIInChI=1S/C16H16N2O3/c19-13-8-16(7-3-6-12(16)17-13)9-18-14(20)10-4-1-2-5-11(10)15(18)21/h1-2,4-5,12H,3,6-9H2,(H,17,19)/t12-,16-/m0/s1
InChIKeyFOKDMBZEECFJFJ-LRDDRELGSA-N
XLogP1.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
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-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione (CID 154981394) is 2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione is O=C1C[C@]2(CN3C(=O)c4ccccc4C3=O)CCC[C@@H]2N1.
What is the InChIKey of 2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione?
The InChIKey is FOKDMBZEECFJFJ-LRDDRELGSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-13-8-16(7-3-6-12(16)17-13)9-18-14(20)10-4-1-2-5-11(10)15(18)21/h1-2,4-5,12H,3,6-9H2,(H,17,19)/t12-,16-/m0/s1.
What are the key properties of 2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione?
2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione has a molecular weight of 284.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 154981394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).