5-amino-2-(2-aminoethyl)isoindole-1,3-dione

C10H11N3O2 — CID 82506823

IUPAC5-amino-2-(2-aminoethyl)isoindole-1,3-dione
SMILESNCCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C10H11N3O2/c11-3-4-13-9(14)7-2-1-6(12)5-8(7)10(13)15/h1-2,5H,3-4,11-12H2
InChIKeyAROMCTHSFSUUAQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.18
Rot. Bonds2

About 5-amino-2-(2-aminoethyl)isoindole-1,3-dione

5-amino-2-(2-aminoethyl)isoindole-1,3-dione (PubChem CID 82506823) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-amino-2-(2-aminoethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(2-aminoethyl)isoindole-1,3-dione
PubChem CID82506823
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-amino-2-(2-aminoethyl)isoindole-1,3-dione
SMILESNCCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C10H11N3O2/c11-3-4-13-9(14)7-2-1-6(12)5-8(7)10(13)15/h1-2,5H,3-4,11-12H2
InChIKeyAROMCTHSFSUUAQ-UHFFFAOYSA-N
XLogP-0.18
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
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-dodecylisoindole-1,3-dione
CID 100925036
5-amino-2-decylisoindole-1,3-dione
CID 132514130
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
5-amino-2-[(dimethylamino)methyl]isoindole-1,3-dione
CID 21307299
5-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]isoindole-1,3-dione
CID 62640881
5-amino-2-(2-propan-2-ylsulfonylethyl)isoindole-1,3-dione
CID 106724648
5-amino-2-(3-methoxy-3-methylbutyl)isoindole-1,3-dione
CID 103033677
5-amino-2-[2-(3-methylbutoxy)ethyl]isoindole-1,3-dione
CID 61484040
5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]isoindole-1,3-dione
CID 63330270
5-amino-2-[2-(1-methylpyrazol-4-yl)ethyl]isoindole-1,3-dione
CID 80689338
3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide
CID 62623411
5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethyl]isoindole-1,3-dione
CID 106402524

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-aminoethyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(2-aminoethyl)isoindole-1,3-dione (CID 82506823) is 5-amino-2-(2-aminoethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(2-aminoethyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(2-aminoethyl)isoindole-1,3-dione is NCCN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-(2-aminoethyl)isoindole-1,3-dione?
The InChIKey is AROMCTHSFSUUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-3-4-13-9(14)7-2-1-6(12)5-8(7)10(13)15/h1-2,5H,3-4,11-12H2.
What are the key properties of 5-amino-2-(2-aminoethyl)isoindole-1,3-dione?
5-amino-2-(2-aminoethyl)isoindole-1,3-dione has a molecular weight of 205.22 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-aminoethyl)isoindole-1,3-dione is sourced from PubChem (CID 82506823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).