cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione

C8H13CeNO3S — CID 160565478

IUPACcerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione
SMILESCCCSC1CC(=O)N(OC)C1=O.[Ce]
InChIInChI=1S/C8H13NO3S.Ce/c1-3-4-13-6-5-7(10)9(12-2)8(6)11;/h6H,3-5H2,1-2H3;
InChIKeyQZWBUAHGXPCXNK-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.82
Rot. Bonds4

About cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione

cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione (PubChem CID 160565478) has the molecular formula C8H13CeNO3S and a molecular weight of 343.38 g/mol. Its IUPAC name is cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Namecerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione
PubChem CID160565478
Molecular FormulaC8H13CeNO3S
Molecular Weight343.38 g/mol
Exact Mass342.97
IUPAC Namecerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione
SMILESCCCSC1CC(=O)N(OC)C1=O.[Ce]
InChIInChI=1S/C8H13NO3S.Ce/c1-3-4-13-6-5-7(10)9(12-2)8(6)11;/h6H,3-5H2,1-2H3;
InChIKeyQZWBUAHGXPCXNK-UHFFFAOYSA-N
XLogP0.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-propylsulfanylpyrrolidine-2,5-dione
CID 59289440
[3-[3-(disulfanyl)propylsulfanyl]-2,5-dioxopyrrolidin-1-yl] acetate;propane
CID 142806175
butane;[2,5-dioxo-3-(2-oxopropylsulfanyl)pyrrolidin-1-yl] 4-ethylcyclohexane-1-carboxylate
CID 176677310
4-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)butanoic acid
CID 137398423
3-methanidyl-1-methoxypyrrolidine-2,5-dione
CID 90919377
[(2E,4E)-5-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)hepta-2,4-dien-3-yl] methyl sulfate
CID 142195846
3-(2-aminoethylsulfanyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43638414
3-(2-aminoethylsulfanyl)-1-nonylpyrrolidine-2,5-dione
CID 512847
5-propylsulfanylpyrrolidin-2-one
CID 19868701
3-ethylsulfanyl-1-heptylpyrrolidine-2,5-dione
CID 142573295
methyl 3-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)sulfanyl-2-methylpropanoate
CID 66115561
(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 122532298

Frequently Asked Questions

What is the IUPAC name of cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione (CID 160565478) is cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione is CCCSC1CC(=O)N(OC)C1=O.[Ce].
What is the InChIKey of cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione?
The InChIKey is QZWBUAHGXPCXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S.Ce/c1-3-4-13-6-5-7(10)9(12-2)8(6)11;/h6H,3-5H2,1-2H3;.
What are the key properties of cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione?
cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione has a molecular weight of 343.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;1-methoxy-3-propylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 160565478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).