6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione

C14H14N4O4 — CID 164919735

IUPAC6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione
SMILESCC(C)c1cnc2c(n1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H14N4O4/c1-6(2)7-5-15-10-11(16-7)14(22)18(13(10)21)8-3-4-9(19)17-12(8)20/h5-6,8H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyKWEMPSCZYIGOKQ-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.00
Rot. Bonds2

About 6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione

6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione (PubChem CID 164919735) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Name6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione
PubChem CID164919735
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione
SMILESCC(C)c1cnc2c(n1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H14N4O4/c1-6(2)7-5-15-10-11(16-7)14(22)18(13(10)21)8-3-4-9(19)17-12(8)20/h5-6,8H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyKWEMPSCZYIGOKQ-UHFFFAOYSA-N
XLogP0.00
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione
CID 138574865
7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
CID 171588178
2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
CID 178005064
2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane
CID 164919630
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
CID 167278640
6-chloro-2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 155905642
3-(7-iodo-3-oxo-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione
CID 163258969
5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione
CID 171588270

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione?
The IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione (CID 164919735) is 6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for 6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for 6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione is CC(C)c1cnc2c(n1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione?
The InChIKey is KWEMPSCZYIGOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-6(2)7-5-15-10-11(16-7)14(22)18(13(10)21)8-3-4-9(19)17-12(8)20/h5-6,8H,3-4H2,1-2H3,(H,17,19,20).
What are the key properties of 6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione?
6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione has a molecular weight of 302.29 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dioxopiperidin-3-yl)-3-propan-2-ylpyrrolo[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 164919735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).