5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione

C14H17N3O2 — CID 106019319

IUPAC5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
SMILESCN1CCCC1CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C14H17N3O2/c1-16-6-2-3-10(16)8-17-13(18)11-5-4-9(15)7-12(11)14(17)19/h4-5,7,10H,2-3,6,8,15H2,1H3
InChIKeyHJOISPKDMKZSPQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.96
Rot. Bonds2

About 5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione

5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione (PubChem CID 106019319) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
PubChem CID106019319
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
SMILESCN1CCCC1CN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C14H17N3O2/c1-16-6-2-3-10(16)8-17-13(18)11-5-4-9(15)7-12(11)14(17)19/h4-5,7,10H,2-3,6,8,15H2,1H3
InChIKeyHJOISPKDMKZSPQ-UHFFFAOYSA-N
XLogP0.96
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 43209481
5-amino-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 804347
5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one
CID 165482076
5-amino-2-dodecylisoindole-1,3-dione
CID 100925036
5-amino-2-decylisoindole-1,3-dione
CID 132514130
5-amino-2-(2-aminoethyl)isoindole-1,3-dione
CID 82506823
5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione
CID 63827887
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
CID 114137819
5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione
CID 21307299
5-amino-2-[[1-(dimethylamino)cyclobutyl]methyl]isoindole-1,3-dione
CID 105418763
5-amino-2-(4-ethylcyclohexyl)isoindole-1,3-dione
CID 61470075
2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione
CID 99872290

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione (CID 106019319) is 5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione is CN1CCCC1CN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The InChIKey is HJOISPKDMKZSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-6-2-3-10(16)8-17-13(18)11-5-4-9(15)7-12(11)14(17)19/h4-5,7,10H,2-3,6,8,15H2,1H3.
What are the key properties of 5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione has a molecular weight of 259.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 106019319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).