2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C16H15N3O4 — CID 156709667

IUPAC2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
SMILESCN1Cc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3=O
InChIInChI=1S/C16H15N3O4/c1-18-6-8-4-10-11(5-9(8)7-18)16(23)19(15(10)22)12-2-3-13(20)17-14(12)21/h4-5,12H,2-3,6-7H2,1H3,(H,17,20,21)
InChIKeyRNXFHBLKGAWWBL-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.03
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 156709667) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
PubChem CID156709667
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
SMILESCN1Cc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3=O
InChIInChI=1S/C16H15N3O4/c1-18-6-8-4-10-11(5-9(8)7-18)16(23)19(15(10)22)12-2-3-13(20)17-14(12)21/h4-5,12H,2-3,6-7H2,1H3,(H,17,20,21)
InChIKeyRNXFHBLKGAWWBL-UHFFFAOYSA-N
XLogP0.03
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 156709667) is 2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is CN1Cc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
The InChIKey is RNXFHBLKGAWWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-18-6-8-4-10-11(5-9(8)7-18)16(23)19(15(10)22)12-2-3-13(20)17-14(12)21/h4-5,12H,2-3,6-7H2,1H3,(H,17,20,21).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 313.31 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-6-methyl-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 156709667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).