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

C18H17N3O2 — CID 51644910

IUPAC2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1CCC[C@H]1c1cccnc1
InChIInChI=1S/C18H17N3O2/c22-17-14-6-1-2-7-15(14)18(23)21(17)12-20-10-4-8-16(20)13-5-3-9-19-11-13/h1-3,5-7,9,11,16H,4,8,10,12H2/t16-/m0/s1
InChIKeyRJCFKKXXDMTNFD-INIZCTEOSA-N
MW307.35 g/mol
LogP2.47
Rot. Bonds3

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

2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 51644910) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione
PubChem CID51644910
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1CCC[C@H]1c1cccnc1
InChIInChI=1S/C18H17N3O2/c22-17-14-6-1-2-7-15(14)18(23)21(17)12-20-10-4-8-16(20)13-5-3-9-19-11-13/h1-3,5-7,9,11,16H,4,8,10,12H2/t16-/m0/s1
InChIKeyRJCFKKXXDMTNFD-INIZCTEOSA-N
XLogP2.47
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.47
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

5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 35947653
2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 42921889
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one
CID 171674206
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
CID 67495346
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 66261613
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-[(2S)-1-(2-azidoethyl)pyrrolidin-2-yl]pyridine
CID 129495697
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione (CID 51644910) is 2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CN1CCC[C@H]1c1cccnc1.
What is the InChIKey of 2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is RJCFKKXXDMTNFD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-17-14-6-1-2-7-15(14)18(23)21(17)12-20-10-4-8-16(20)13-5-3-9-19-11-13/h1-3,5-7,9,11,16H,4,8,10,12H2/t16-/m0/s1.
What are the key properties of 2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione?
2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 307.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 51644910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).