[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate

C28H26N2O8Sn — CID 16687826

IUPAC[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate
SMILESC[Sn](C)(OC(=O)C(Cc1ccccc1)N1C(=O)C=CC1=O)OC(=O)C(Cc1ccccc1)N1C(=O)C=CC1=O
InChIInChI=1S/2C13H11NO4.2CH3.Sn/c2*15-11-6-7-12(16)14(11)10(13(17)18)8-9-4-2-1-3-5-9;;;/h2*1-7,10H,8H2,(H,17,18);2*1H3;/q;;;;+2/p-2
InChIKeyYFIWDTDIGWAGHZ-UHFFFAOYSA-L
MW637.23 g/mol
LogP1.85
Rot. Bonds10

About [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate

[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate (PubChem CID 16687826) has the molecular formula C28H26N2O8Sn and a molecular weight of 637.23 g/mol. Its IUPAC name is [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate.

Molecular Properties

Compound Name[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate
PubChem CID16687826
Molecular FormulaC28H26N2O8Sn
Molecular Weight637.23 g/mol
Exact Mass638.07
IUPAC Name[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate
SMILESC[Sn](C)(OC(=O)C(Cc1ccccc1)N1C(=O)C=CC1=O)OC(=O)C(Cc1ccccc1)N1C(=O)C=CC1=O
InChIInChI=1S/2C13H11NO4.2CH3.Sn/c2*15-11-6-7-12(16)14(11)10(13(17)18)8-9-4-2-1-3-5-9;;;/h2*1-7,10H,8H2,(H,17,18);2*1H3;/q;;;;+2/p-2
InChIKeyYFIWDTDIGWAGHZ-UHFFFAOYSA-L
XLogP1.85
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-diphenylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate
CID 16688308
[[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate
CID 124629701
benzyl (2S)-2-(2,5-dioxopyrrol-1-yl)-4-methylpentanoate
CID 101435468
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
[(2S)-2-(2,5-dioxopyrrol-1-yl)-3-phenylpropyl] benzoate
CID 102251622
2-oxopropyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22110471
methyl (2S)-2-[13-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-3-phenylpropanoate;bis(propan-2-one)
CID 139090030
[(3S)-3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-phenylbutyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 23314933
2-ethoxyethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 24518121
ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
CID 139636721
prop-2-enyl (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
CID 102417431
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365

Frequently Asked Questions

What is the IUPAC name of [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate?
The IUPAC name of [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate (CID 16687826) is [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate.
What is the SMILES notation for [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate?
The canonical SMILES for [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate is C[Sn](C)(OC(=O)C(Cc1ccccc1)N1C(=O)C=CC1=O)OC(=O)C(Cc1ccccc1)N1C(=O)C=CC1=O.
What is the InChIKey of [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate?
The InChIKey is YFIWDTDIGWAGHZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H11NO4.2CH3.Sn/c2*15-11-6-7-12(16)14(11)10(13(17)18)8-9-4-2-1-3-5-9;;;/h2*1-7,10H,8H2,(H,17,18);2*1H3;/q;;;;+2/p-2.
What are the key properties of [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate?
[[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate has a molecular weight of 637.23 g/mol, XLogP of 1.85, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoyl]oxy-dimethylstannyl] 2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoate is sourced from PubChem (CID 16687826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).