2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione

C24H24N2O4 — CID 55495913

IUPAC2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione
SMILESO=C1c2ccc(C(=O)N3CCCC3c3ccccc3)cc2C(=O)N1CC1CCCO1
InChIInChI=1S/C24H24N2O4/c27-22(25-12-4-9-21(25)16-6-2-1-3-7-16)17-10-11-19-20(14-17)24(29)26(23(19)28)15-18-8-5-13-30-18/h1-3,6-7,10-11,14,18,21H,4-5,8-9,12-13,15H2
InChIKeyQAOLFFIUHOBZTQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.44
Rot. Bonds4

About 2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione

2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione (PubChem CID 55495913) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione
PubChem CID55495913
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione
SMILESO=C1c2ccc(C(=O)N3CCCC3c3ccccc3)cc2C(=O)N1CC1CCCO1
InChIInChI=1S/C24H24N2O4/c27-22(25-12-4-9-21(25)16-6-2-1-3-7-16)17-10-11-19-20(14-17)24(29)26(23(19)28)15-18-8-5-13-30-18/h1-3,6-7,10-11,14,18,21H,4-5,8-9,12-13,15H2
InChIKeyQAOLFFIUHOBZTQ-UHFFFAOYSA-N
XLogP3.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2'-(Oxybis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)
CID 247817
2-(Oxolan-2-ylmethyl)isoindole-1,3-dione
CID 2883188
2-(2-Hydroxyethyl)-5-[2-(2-hydroxyethyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 1076643
(1,3,5,7-Tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6-diyl)bis(ethane-2,1-diyl) diacetate
CID 1132326
2,6-bis(tetrahydrofuran-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
CID 2943525
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2953906
2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 2965911
4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 3148096
2-(4-ethylbenzyl)-3-oxo-N-(tetrahydrofuran-2-ylmethyl)isoindoline-1-carboxamide
CID 6625050
3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
CID 122186783
4-[(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl]-N,2-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 137659343
Dimethyl 2,5-bis(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanedioate
CID 272868

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione?
The IUPAC name of 2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione (CID 55495913) is 2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione is O=C1c2ccc(C(=O)N3CCCC3c3ccccc3)cc2C(=O)N1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione?
The InChIKey is QAOLFFIUHOBZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c27-22(25-12-4-9-21(25)16-6-2-1-3-7-16)17-10-11-19-20(14-17)24(29)26(23(19)28)15-18-8-5-13-30-18/h1-3,6-7,10-11,14,18,21H,4-5,8-9,12-13,15H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione?
2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione has a molecular weight of 404.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione is sourced from PubChem (CID 55495913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).