1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione

C11H9NO2 — CID 132988443

IUPAC1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione
SMILESO=C1CC2C(=O)c3ccccc3C2N1
InChIInChI=1S/C11H9NO2/c13-9-5-8-10(12-9)6-3-1-2-4-7(6)11(8)14/h1-4,8,10H,5H2,(H,12,13)
InChIKeyUWZCOBUXSFBXOQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.06
Rot. Bonds

About 1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione

1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione (PubChem CID 132988443) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione.

Molecular Properties

Compound Name1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione
PubChem CID132988443
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione
SMILESO=C1CC2C(=O)c3ccccc3C2N1
InChIInChI=1S/C11H9NO2/c13-9-5-8-10(12-9)6-3-1-2-4-7(6)11(8)14/h1-4,8,10H,5H2,(H,12,13)
InChIKeyUWZCOBUXSFBXOQ-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,4a,9a-hexahydrofluoren-9-one
CID 604181
(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one
CID 102345002
3-cyclopentyl-2,3-dihydroisoindol-1-one
CID 84733844
4-(2-ethylphenyl)-5-methylpyrrolidin-2-one
CID 66108905
4b,5,10b,11-tetrahydrochrysene-6,12-dione
CID 11265495
5-amino-4,6-diphenylpiperidin-2-one
CID 19012812
4,4a,9,9a-tetrahydro-3H-anthracene-1,2,10-trione
CID 123667942
(3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one
CID 10997766
tert-butyl (3aS,8bR)-4-oxo-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole-2-carboxylate
CID 124704137
4-amino-5-(2-chlorophenyl)pyrrolidin-2-one
CID 82284114
(3aR,9S,9aS)-9-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]naphthalen-4-one
CID 10679542
(2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 96607570

Frequently Asked Questions

What is the IUPAC name of 1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione?
The IUPAC name of 1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione (CID 132988443) is 1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione.
What is the SMILES notation for 1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione?
The canonical SMILES for 1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione is O=C1CC2C(=O)c3ccccc3C2N1.
What is the InChIKey of 1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione?
The InChIKey is UWZCOBUXSFBXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-9-5-8-10(12-9)6-3-1-2-4-7(6)11(8)14/h1-4,8,10H,5H2,(H,12,13).
What are the key properties of 1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione?
1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione has a molecular weight of 187.20 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione is sourced from PubChem (CID 132988443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).