(3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one

C16H16N2O3 — CID 146046163

IUPAC(3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
SMILESO=C1C[C@H]2CN(C(=O)c3cccc4c3CCC4=O)C[C@H]2N1
InChIInChI=1S/C16H16N2O3/c19-14-5-4-10-11(14)2-1-3-12(10)16(21)18-7-9-6-15(20)17-13(9)8-18/h1-3,9,13H,4-8H2,(H,17,20)/t9-,13+/m0/s1
InChIKeyGPSHSXCTPNRPSF-TVQRCGJNSA-N
MW284.31 g/mol
LogP0.78
Rot. Bonds1

About (3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one

(3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one (PubChem CID 146046163) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one.

Molecular Properties

Compound Name(3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
PubChem CID146046163
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
SMILESO=C1C[C@H]2CN(C(=O)c3cccc4c3CCC4=O)C[C@H]2N1
InChIInChI=1S/C16H16N2O3/c19-14-5-4-10-11(14)2-1-3-12(10)16(21)18-7-9-6-15(20)17-13(9)8-18/h1-3,9,13H,4-8H2,(H,17,20)/t9-,13+/m0/s1
InChIKeyGPSHSXCTPNRPSF-TVQRCGJNSA-N
XLogP0.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one with MolForge

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Related Compounds

(3aS,6aS)-5-[2-(1,2,4-triazol-1-yl)benzoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 154569468
4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one
CID 157020459
4-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-2,3-dihydroinden-1-one
CID 166615705
(3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146044148
(3aS,6aS)-5-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146038788
4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 131941564
(3aS,6aS)-5-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one;formic acid
CID 154892205
9-(1-oxo-2,3-dihydroindene-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630313
4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 166617141
(3aS,6aS)-5-(3-methyl-1-propylpyrazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146044186
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CID 157014311
4-(4-fluorobenzoyl)-2,3-dihydroinden-1-one
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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one?
The IUPAC name of (3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one (CID 146046163) is (3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one.
What is the SMILES notation for (3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one?
The canonical SMILES for (3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one is O=C1C[C@H]2CN(C(=O)c3cccc4c3CCC4=O)C[C@H]2N1.
What is the InChIKey of (3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one?
The InChIKey is GPSHSXCTPNRPSF-TVQRCGJNSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-14-5-4-10-11(14)2-1-3-12(10)16(21)18-7-9-6-15(20)17-13(9)8-18/h1-3,9,13H,4-8H2,(H,17,20)/t9-,13+/m0/s1.
What are the key properties of (3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one?
(3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one has a molecular weight of 284.31 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one is sourced from PubChem (CID 146046163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).