2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione

C20H23N3O4 — CID 25155839

IUPAC2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
SMILESO=C([C@@H]1CCCN1C(=O)CCN1C(=O)c2ccccc2C1=O)N1CCCC1
InChIInChI=1S/C20H23N3O4/c24-17(22-12-5-8-16(22)20(27)21-10-3-4-11-21)9-13-23-18(25)14-6-1-2-7-15(14)19(23)26/h1-2,6-7,16H,3-5,8-13H2/t16-/m0/s1
InChIKeyLIUVUIPCJKXZGP-INIZCTEOSA-N
MW369.42 g/mol
LogP1.29
Rot. Bonds4

About 2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione

2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 25155839) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
PubChem CID25155839
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
SMILESO=C([C@@H]1CCCN1C(=O)CCN1C(=O)c2ccccc2C1=O)N1CCCC1
InChIInChI=1S/C20H23N3O4/c24-17(22-12-5-8-16(22)20(27)21-10-3-4-11-21)9-13-23-18(25)14-6-1-2-7-15(14)19(23)26/h1-2,6-7,16H,3-5,8-13H2/t16-/m0/s1
InChIKeyLIUVUIPCJKXZGP-INIZCTEOSA-N
XLogP1.29
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione (CID 25155839) is 2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione is O=C([C@@H]1CCCN1C(=O)CCN1C(=O)c2ccccc2C1=O)N1CCCC1.
What is the InChIKey of 2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is LIUVUIPCJKXZGP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-17(22-12-5-8-16(22)20(27)21-10-3-4-11-21)9-13-23-18(25)14-6-1-2-7-15(14)19(23)26/h1-2,6-7,16H,3-5,8-13H2/t16-/m0/s1.
What are the key properties of 2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione?
2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 369.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 25155839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).