2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide

C12H14N2O7Si — CID 102214820

IUPAC2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide
SMILESO=C(NCCC[Si](O)(O)O)c1ccc2c(c1)C(=O)N(O)C2=O
InChIInChI=1S/C12H14N2O7Si/c15-10(13-4-1-5-22(19,20)21)7-2-3-8-9(6-7)12(17)14(18)11(8)16/h2-3,6,18-21H,1,4-5H2,(H,13,15)
InChIKeyOIXDMYSBMBCJAG-UHFFFAOYSA-N
MW326.34 g/mol
LogP-1.29
Rot. Bonds5

About 2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide

2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide (PubChem CID 102214820) has the molecular formula C12H14N2O7Si and a molecular weight of 326.34 g/mol. Its IUPAC name is 2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide
PubChem CID102214820
Molecular FormulaC12H14N2O7Si
Molecular Weight326.34 g/mol
Exact Mass326.06
IUPAC Name2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide
SMILESO=C(NCCC[Si](O)(O)O)c1ccc2c(c1)C(=O)N(O)C2=O
InChIInChI=1S/C12H14N2O7Si/c15-10(13-4-1-5-22(19,20)21)7-2-3-8-9(6-7)12(17)14(18)11(8)16/h2-3,6,18-21H,1,4-5H2,(H,13,15)
InChIKeyOIXDMYSBMBCJAG-UHFFFAOYSA-N
XLogP-1.29
TPSA147.40 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 5-1.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide
CID 59622421
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 78773962
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
N-(3-hydroxypropyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 78795995
N-(2-acetamidoethyl)-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108571800
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]isoindole-5-carboxamide
CID 108934796
2-(2,5-dimethylphenyl)-N-[3-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 119433889
N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 32644974
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide?
The IUPAC name of 2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide (CID 102214820) is 2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide?
The canonical SMILES for 2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide is O=C(NCCC[Si](O)(O)O)c1ccc2c(c1)C(=O)N(O)C2=O.
What is the InChIKey of 2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide?
The InChIKey is OIXDMYSBMBCJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O7Si/c15-10(13-4-1-5-22(19,20)21)7-2-3-8-9(6-7)12(17)14(18)11(8)16/h2-3,6,18-21H,1,4-5H2,(H,13,15).
What are the key properties of 2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide?
2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide has a molecular weight of 326.34 g/mol, XLogP of -1.29, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3-dioxo-N-(3-trihydroxysilylpropyl)isoindole-5-carboxamide is sourced from PubChem (CID 102214820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).