2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione

C21H22N2O2 — CID 95568169

IUPAC2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20-18-10-4-5-11-19(18)21(25)23(20)14-13-22-12-6-9-17(22)15-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2/t17-/m1/s1
InChIKeyKCKHLDPQJUTVSK-QGZVFWFLSA-N
MW334.42 g/mol
LogP2.99
Rot. Bonds5

About 2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 95568169) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID95568169
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20-18-10-4-5-11-19(18)21(25)23(20)14-13-22-12-6-9-17(22)15-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2/t17-/m1/s1
InChIKeyKCKHLDPQJUTVSK-QGZVFWFLSA-N
XLogP2.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.99
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-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]isoindole-1,3-dione
CID 11930918
2-[4-[2-(aminomethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 164916956
2-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 72694161
methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
CID 124613957
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 82224049
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione
CID 119926222
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 66261613
5-(2-benzylpiperidin-1-yl)pentanoic acid
CID 18621474
2-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 47035108
2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 119926221

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione (CID 95568169) is 2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is KCKHLDPQJUTVSK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20-18-10-4-5-11-19(18)21(25)23(20)14-13-22-12-6-9-17(22)15-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2/t17-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 334.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 95568169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).