7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione

C15H10N4O4 — CID 171588178

IUPAC7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
SMILESO=C1CCC(N2C(=O)c3cc4cnncc4cc3C2=O)C(=O)N1
InChIInChI=1S/C15H10N4O4/c20-12-2-1-11(13(21)18-12)19-14(22)9-3-7-5-16-17-6-8(7)4-10(9)15(19)23/h3-6,11H,1-2H2,(H,18,20,21)
InChIKeyAOEHDQYWDFCVAD-UHFFFAOYSA-N
MW310.27 g/mol
LogP0.03
Rot. Bonds1

About 7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione

7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione (PubChem CID 171588178) has the molecular formula C15H10N4O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione.

Molecular Properties

Compound Name7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
PubChem CID171588178
Molecular FormulaC15H10N4O4
Molecular Weight310.27 g/mol
Exact Mass310.07
IUPAC Name7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
SMILESO=C1CCC(N2C(=O)c3cc4cnncc4cc3C2=O)C(=O)N1
InChIInChI=1S/C15H10N4O4/c20-12-2-1-11(13(21)18-12)19-14(22)9-3-7-5-16-17-6-8(7)4-10(9)15(19)23/h3-6,11H,1-2H2,(H,18,20,21)
InChIKeyAOEHDQYWDFCVAD-UHFFFAOYSA-N
XLogP0.03
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 50.03
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)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 172549870
6-chloro-2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 155905642
2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane
CID 164919630
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione?
The IUPAC name of 7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione (CID 171588178) is 7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione.
What is the SMILES notation for 7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione?
The canonical SMILES for 7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione is O=C1CCC(N2C(=O)c3cc4cnncc4cc3C2=O)C(=O)N1.
What is the InChIKey of 7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione?
The InChIKey is AOEHDQYWDFCVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4/c20-12-2-1-11(13(21)18-12)19-14(22)9-3-7-5-16-17-6-8(7)4-10(9)15(19)23/h3-6,11H,1-2H2,(H,18,20,21).
What are the key properties of 7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione?
7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione has a molecular weight of 310.27 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione is sourced from PubChem (CID 171588178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).