2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride

C14H18ClN3O2 — CID 119917686

IUPAC2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride
SMILESCl.NC1CCN(CCN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C14H17N3O2.ClH/c15-10-5-6-16(9-10)7-8-17-13(18)11-3-1-2-4-12(11)14(17)19;/h1-4,10H,5-9,15H2;1H
InChIKeyPMEXLOOWKVSHLY-UHFFFAOYSA-N
MW295.77 g/mol
LogP0.74
Rot. Bonds3

About 2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride

2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride (PubChem CID 119917686) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride
PubChem CID119917686
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride
SMILESCl.NC1CCN(CCN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C14H17N3O2.ClH/c15-10-5-6-16(9-10)7-8-17-13(18)11-3-1-2-4-12(11)14(17)19;/h1-4,10H,5-9,15H2;1H
InChIKeyPMEXLOOWKVSHLY-UHFFFAOYSA-N
XLogP0.74
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-aminopiperidin-1-yl)ethyl]isoindole-1,3-dione;dihydrochloride
CID 127021054
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612
2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 175208589
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide
CID 39903901
2-[(3-aminopiperidin-1-yl)methyl]isoindole-1,3-dione
CID 55032217
2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 55030663
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
(3S)-1-(3,3-diphenylpropyl)pyrrolidin-3-amine
CID 58636592
(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride (CID 119917686) is 2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride is Cl.NC1CCN(CCN2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride?
The InChIKey is PMEXLOOWKVSHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c15-10-5-6-16(9-10)7-8-17-13(18)11-3-1-2-4-12(11)14(17)19;/h1-4,10H,5-9,15H2;1H.
What are the key properties of 2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride?
2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 119917686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).