4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane

C17H21N3O4 — CID 166155279

IUPAC4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane
SMILESCCC.Cc1cc(N)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H13N3O4.C3H8/c1-6-4-7-11(8(15)5-6)14(21)17(13(7)20)9-2-3-10(18)16-12(9)19;1-3-2/h4-5,9H,2-3,15H2,1H3,(H,16,18,19);3H2,1-2H3
InChIKeyRBCYIOQZKDWIJT-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.39
Rot. Bonds1

About 4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane

4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane (PubChem CID 166155279) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane.

Molecular Properties

Compound Name4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane
PubChem CID166155279
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane
SMILESCCC.Cc1cc(N)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H13N3O4.C3H8/c1-6-4-7-11(8(15)5-6)14(21)17(13(7)20)9-2-3-10(18)16-12(9)19;1-3-2/h4-5,9H,2-3,15H2,1H3,(H,16,18,19);3H2,1-2H3
InChIKeyRBCYIOQZKDWIJT-UHFFFAOYSA-N
XLogP1.39
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.39
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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Related Compounds

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione
CID 131999739
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
6-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)-4-methylpyrrolo[3,4-c]pyridine-1,3-dione
CID 138046345
3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 170055897
6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
CID 168871932
3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 154595724
4-amino-2-(2,6-dioxopiperidin-3-yl)-6,7,8,9-tetrahydropyrrolo[3,4-f]isoquinoline-1,3-dione
CID 171588129
4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione
CID 164920099
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane?
The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane (CID 166155279) is 4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane.
What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane?
The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane is CCC.Cc1cc(N)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane?
The InChIKey is RBCYIOQZKDWIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4.C3H8/c1-6-4-7-11(8(15)5-6)14(21)17(13(7)20)9-2-3-10(18)16-12(9)19;1-3-2/h4-5,9H,2-3,15H2,1H3,(H,16,18,19);3H2,1-2H3.
What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane?
4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane has a molecular weight of 331.37 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane is sourced from PubChem (CID 166155279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).