3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine

C36H63N5O15Si2 — CID 159636080

IUPAC3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCNC(=O)CCN1C(=O)C=CC1=O)(OCC)OCC.O=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1
InChIInChI=1S/C16H28N2O6Si.C9H23NO3Si.C7H7NO4.C4H5NO2/c1-4-22-25(23-5-2,24-6-3)13-7-11-17-14(19)10-12-18-15(20)8-9-16(18)21;1-4-11-14(12-5-2,13-6-3)9-7-8-10;9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5-3/h8-9H,4-7,10-13H2,1-3H3,(H,17,19);4-10H2,1-3H3;1-2H,3-4H2,(H,11,12);1-2H2,(H,5,6,7)
InChIKeyMPTKKTFXMPJRHE-UHFFFAOYSA-N
MW862.09 g/mol
LogP1.05
Rot. Bonds25

About 3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine

3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine (PubChem CID 159636080) has the molecular formula C36H63N5O15Si2 and a molecular weight of 862.09 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine
PubChem CID159636080
Molecular FormulaC36H63N5O15Si2
Molecular Weight862.09 g/mol
Exact Mass861.39
IUPAC Name3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCNC(=O)CCN1C(=O)C=CC1=O)(OCC)OCC.O=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1
InChIInChI=1S/C16H28N2O6Si.C9H23NO3Si.C7H7NO4.C4H5NO2/c1-4-22-25(23-5-2,24-6-3)13-7-11-17-14(19)10-12-18-15(20)8-9-16(18)21;1-4-11-14(12-5-2,13-6-3)9-7-8-10;9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5-3/h8-9H,4-7,10-13H2,1-3H3,(H,17,19);4-10H2,1-3H3;1-2H,3-4H2,(H,11,12);1-2H2,(H,5,6,7)
InChIKeyMPTKKTFXMPJRHE-UHFFFAOYSA-N
XLogP1.05
TPSA268.73 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.09
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione
CID 158037053
(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;3-triethoxysilylpropan-1-amine
CID 160311495

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine (CID 159636080) is 3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine is CCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCNC(=O)CCN1C(=O)C=CC1=O)(OCC)OCC.O=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine?
The InChIKey is MPTKKTFXMPJRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O6Si.C9H23NO3Si.C7H7NO4.C4H5NO2/c1-4-22-25(23-5-2,24-6-3)13-7-11-17-14(19)10-12-18-15(20)8-9-16(18)21;1-4-11-14(12-5-2,13-6-3)9-7-8-10;9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5-3/h8-9H,4-7,10-13H2,1-3H3,(H,17,19);4-10H2,1-3H3;1-2H,3-4H2,(H,11,12);1-2H2,(H,5,6,7).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine?
3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine has a molecular weight of 862.09 g/mol, XLogP of 1.05, 25 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)propanoic acid;3-(2,5-dioxopyrrol-1-yl)-N-(3-triethoxysilylpropyl)propanamide;pyrrolidine-2,5-dione;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 159636080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).