4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C14H13N3O4 — CID 11522077

IUPAC4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC1(N2C(=O)c3cccc(N)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C14H13N3O4/c1-14(6-5-9(18)16-13(14)21)17-11(19)7-3-2-4-8(15)10(7)12(17)20/h2-4H,5-6,15H2,1H3,(H,16,18,21)
InChIKeyVZTDWPXKIYLLAT-UHFFFAOYSA-N
MW287.27 g/mol
LogP0.06
Rot. Bonds1

About 4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 11522077) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID11522077
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC1(N2C(=O)c3cccc(N)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C14H13N3O4/c1-14(6-5-9(18)16-13(14)21)17-11(19)7-3-2-4-8(15)10(7)12(17)20/h2-4H,5-6,15H2,1H3,(H,16,18,21)
InChIKeyVZTDWPXKIYLLAT-UHFFFAOYSA-N
XLogP0.06
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 11522077) is 4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC1(N2C(=O)c3cccc(N)c3C2=O)CCC(=O)NC1=O.
What is the InChIKey of 4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is VZTDWPXKIYLLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-14(6-5-9(18)16-13(14)21)17-11(19)7-3-2-4-8(15)10(7)12(17)20/h2-4H,5-6,15H2,1H3,(H,16,18,21).
What are the key properties of 4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 287.27 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 11522077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).