8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione

C17H17N3O5 — CID 171588231

IUPAC8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
SMILESCOC1Cc2cc3c(c(N)c2C1)C(=O)N([C@H]1CCC(=O)NC1=O)C3=O
InChIInChI=1S/C17H17N3O5/c1-25-8-4-7-5-10-13(14(18)9(7)6-8)17(24)20(16(10)23)11-2-3-12(21)19-15(11)22/h5,8,11H,2-4,6,18H2,1H3,(H,19,21,22)/t8?,11-/m0/s1
InChIKeyCCVMXRZZIWJFJR-LYNSQETBSA-N
MW343.34 g/mol
LogP-0.22
Rot. Bonds2

About 8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione

8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione (PubChem CID 171588231) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione.

Molecular Properties

Compound Name8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
PubChem CID171588231
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
SMILESCOC1Cc2cc3c(c(N)c2C1)C(=O)N([C@H]1CCC(=O)NC1=O)C3=O
InChIInChI=1S/C17H17N3O5/c1-25-8-4-7-5-10-13(14(18)9(7)6-8)17(24)20(16(10)23)11-2-3-12(21)19-15(11)22/h5,8,11H,2-4,6,18H2,1H3,(H,19,21,22)/t8?,11-/m0/s1
InChIKeyCCVMXRZZIWJFJR-LYNSQETBSA-N
XLogP-0.22
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]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-methylisoindole-1,3-dione;propane
CID 166155279
2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
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;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
7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 172549870
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
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
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione?
The IUPAC name of 8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione (CID 171588231) is 8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione.
What is the SMILES notation for 8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione?
The canonical SMILES for 8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione is COC1Cc2cc3c(c(N)c2C1)C(=O)N([C@H]1CCC(=O)NC1=O)C3=O.
What is the InChIKey of 8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione?
The InChIKey is CCVMXRZZIWJFJR-LYNSQETBSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-25-8-4-7-5-10-13(14(18)9(7)6-8)17(24)20(16(10)23)11-2-3-12(21)19-15(11)22/h5,8,11H,2-4,6,18H2,1H3,(H,19,21,22)/t8?,11-/m0/s1.
What are the key properties of 8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione?
8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione has a molecular weight of 343.34 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-[(3S)-2,6-dioxopiperidin-3-yl]-6-methoxy-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione is sourced from PubChem (CID 171588231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).