4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione

C15H14N4O4 — CID 164920099

IUPAC4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione
SMILESNc1cc2c(c3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CNC2
InChIInChI=1S/C15H14N4O4/c16-8-3-6-4-17-5-7(6)11-12(8)15(23)19(14(11)22)9-1-2-10(20)18-13(9)21/h3,9,17H,1-2,4-5,16H2,(H,18,20,21)
InChIKeyYGJIVVLGDZTNRG-UHFFFAOYSA-N
MW314.30 g/mol
LogP-0.73
Rot. Bonds1

About 4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione

4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione (PubChem CID 164920099) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione
PubChem CID164920099
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione
SMILESNc1cc2c(c3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CNC2
InChIInChI=1S/C15H14N4O4/c16-8-3-6-4-17-5-7(6)11-12(8)15(23)19(14(11)22)9-1-2-10(20)18-13(9)21/h3,9,17H,1-2,4-5,16H2,(H,18,20,21)
InChIKeyYGJIVVLGDZTNRG-UHFFFAOYSA-N
XLogP-0.73
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-6-methylisoindole-1,3-dione;propane
CID 166155279
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
8-amino-2-(2,6-dioxopiperidin-3-yl)-4H-isoquinoline-1,3-dione
CID 172771986
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
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
8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 171588231
4-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;4-amino-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;4,7-diamino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4,7-dichloro-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159696058
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 158795821
4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736448
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
CID 131999738

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione (CID 164920099) is 4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione is Nc1cc2c(c3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CNC2.
What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione?
The InChIKey is YGJIVVLGDZTNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c16-8-3-6-4-17-5-7(6)11-12(8)15(23)19(14(11)22)9-1-2-10(20)18-13(9)21/h3,9,17H,1-2,4-5,16H2,(H,18,20,21).
What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione?
4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione has a molecular weight of 314.30 g/mol, XLogP of -0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione is sourced from PubChem (CID 164920099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).