2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione

C15H18N2O2 — CID 12612173

IUPAC2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1CCCC1
InChIInChI=1S/C15H18N2O2/c18-14-12-6-1-2-7-13(12)15(19)17(14)11-5-10-16-8-3-4-9-16/h1-2,6-7H,3-5,8-11H2
InChIKeyGWNUTKQEYHYZRR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.77
Rot. Bonds4

About 2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione

2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione (PubChem CID 12612173) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
PubChem CID12612173
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1CCCC1
InChIInChI=1S/C15H18N2O2/c18-14-12-6-1-2-7-13(12)15(19)17(14)11-5-10-16-8-3-4-9-16/h1-2,6-7H,3-5,8-11H2
InChIKeyGWNUTKQEYHYZRR-UHFFFAOYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-bromooctyl)isoindole-1,3-dione;2-(8-piperidin-1-yloctyl)isoindole-1,3-dione
CID 19933508
2-[3-(4-acetylpiperazin-1-yl)propyl]isoindole-1,3-dione
CID 29230770
11-methyl-5-(3-piperidin-1-ylpropyl)benzo[c][1,5]benzodiazocine-6,12-dione
CID 163455724
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 103734065
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
CID 116619002
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 175208589
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 48736556

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione (CID 12612173) is 2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCN1CCCC1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione?
The InChIKey is GWNUTKQEYHYZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-12-6-1-2-7-13(12)15(19)17(14)11-5-10-16-8-3-4-9-16/h1-2,6-7H,3-5,8-11H2.
What are the key properties of 2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione?
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 12612173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).