2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione

C19H18N2O2 — CID 99872290

IUPAC2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-18-16-10-4-5-11-17(16)19(23)21(18)13-15-9-6-12-20(15)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2/t15-/m0/s1
InChIKeyHUEMOZJDZLRRMD-HNNXBMFYSA-N
MW306.37 g/mol
LogP2.95
Rot. Bonds3

About 2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione

2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 99872290) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione
PubChem CID99872290
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-18-16-10-4-5-11-17(16)19(23)21(18)13-15-9-6-12-20(15)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2/t15-/m0/s1
InChIKeyHUEMOZJDZLRRMD-HNNXBMFYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.95
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-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione (CID 99872290) is 2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C[C@@H]1CCCN1c1ccccc1.
What is the InChIKey of 2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is HUEMOZJDZLRRMD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18-16-10-4-5-11-17(16)19(23)21(18)13-15-9-6-12-20(15)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2/t15-/m0/s1.
What are the key properties of 2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione?
2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 306.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 99872290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).