2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione

C14H17N3O2 — CID 55030663

IUPAC2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
SMILESNCC1CCN(CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C14H17N3O2/c15-7-10-5-6-16(8-10)9-17-13(18)11-3-1-2-4-12(11)14(17)19/h1-4,10H,5-9,15H2
InChIKeyLRXPJGYNZXFKAY-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.52
Rot. Bonds3

About 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione

2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 55030663) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
PubChem CID55030663
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
SMILESNCC1CCN(CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C14H17N3O2/c15-7-10-5-6-16(8-10)9-17-13(18)11-3-1-2-4-12(11)14(17)19/h1-4,10H,5-9,15H2
InChIKeyLRXPJGYNZXFKAY-UHFFFAOYSA-N
XLogP0.52
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(3-aminopiperidin-1-yl)methyl]isoindole-1,3-dione
CID 55032217
2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 79030827
2-[(4-benzylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 674319
2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 102959641
2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride
CID 119917686
2-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 79420634
1-[(1,3-dioxoisoindol-2-yl)methyl]piperidine-3-carbaldehyde
CID 62655657
2-[[(3S)-3-methylpiperazin-1-yl]methyl]isoindole-1,3-dione
CID 104976649
2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 79994387
2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
2-[2-(4-aminopiperidin-1-yl)ethyl]isoindole-1,3-dione;dihydrochloride
CID 127021054
[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
CID 50982031

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione (CID 55030663) is 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione is NCC1CCN(CN2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is LRXPJGYNZXFKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-7-10-5-6-16(8-10)9-17-13(18)11-3-1-2-4-12(11)14(17)19/h1-4,10H,5-9,15H2.
What are the key properties of 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione?
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 259.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 55030663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).