3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione

C5H8AlNO2S — CID 163606651

IUPAC3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(S[AlH2])C1=O
InChIInChI=1S/C5H7NO2S.Al.2H/c1-6-4(7)2-3(9)5(6)8;;;/h3,9H,2H2,1H3;;;/q;+1;;/p-1
InChIKeyHCJSRNSCNSLOFE-UHFFFAOYSA-M
MW173.17 g/mol
LogP-0.98
Rot. Bonds1

About 3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione

3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione (PubChem CID 163606651) has the molecular formula C5H8AlNO2S and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione
PubChem CID163606651
Molecular FormulaC5H8AlNO2S
Molecular Weight173.17 g/mol
Exact Mass173.01
IUPAC Name3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(S[AlH2])C1=O
InChIInChI=1S/C5H7NO2S.Al.2H/c1-6-4(7)2-3(9)5(6)8;;;/h3,9H,2H2,1H3;;;/q;+1;;/p-1
InChIKeyHCJSRNSCNSLOFE-UHFFFAOYSA-M
XLogP-0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione (CID 163606651) is 3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(S[AlH2])C1=O.
What is the InChIKey of 3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione?
The InChIKey is HCJSRNSCNSLOFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO2S.Al.2H/c1-6-4(7)2-3(9)5(6)8;;;/h3,9H,2H2,1H3;;;/q;+1;;/p-1.
What are the key properties of 3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione?
3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione has a molecular weight of 173.17 g/mol, XLogP of -0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-alumanylsulfanyl-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 163606651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).