1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one

C15H19NO3Si — CID 134970255

IUPAC1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one
SMILESCOC1=CCN2C(=O)c3ccccc3C12O[Si](C)(C)C
InChIInChI=1S/C15H19NO3Si/c1-18-13-9-10-16-14(17)11-7-5-6-8-12(11)15(13,16)19-20(2,3)4/h5-9H,10H2,1-4H3
InChIKeyUPESJOODNGCUIZ-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.69
Rot. Bonds3

About 1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one

1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one (PubChem CID 134970255) has the molecular formula C15H19NO3Si and a molecular weight of 289.41 g/mol. Its IUPAC name is 1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one
PubChem CID134970255
Molecular FormulaC15H19NO3Si
Molecular Weight289.41 g/mol
Exact Mass289.11
IUPAC Name1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one
SMILESCOC1=CCN2C(=O)c3ccccc3C12O[Si](C)(C)C
InChIInChI=1S/C15H19NO3Si/c1-18-13-9-10-16-14(17)11-7-5-6-8-12(11)15(13,16)19-20(2,3)4/h5-9H,10H2,1-4H3
InChIKeyUPESJOODNGCUIZ-UHFFFAOYSA-N
XLogP2.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 21398427
18-methoxy-4-[2-(18-methoxy-25-oxo-7,10,13,16-tetraoxa-1,4-diazatricyclo[16.7.0.019,24]pentacosa-19,21,23-trien-4-yl)ethyl]-7,10,13,16-tetraoxa-1,4-diazatricyclo[16.7.0.019,24]pentacosa-19,21,23-trien-25-one
CID 23658911
(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
CID 7332720
(12bR)-12b-hydroxy-1,4-dimethoxy-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
CID 139190761
10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
CID 21398454
2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride
CID 42625672
10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 44721723
2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one
CID 122403145
2-benzyl-3-cyclohexa-1,5-dien-1-yl-3-ethoxyisoindol-1-one
CID 141210990
dimethyl 8,12-dioxo-16-oxa-9-azatetracyclo[11.2.1.01,9.02,7]hexadeca-2,4,6,14-tetraene-14,15-dicarboxylate
CID 85224942
9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592315
dimethyl 3-methyl-10-oxo-11-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),4,6,8,13,15(19)-hexaene-17,17-dicarboxylate
CID 11269719

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one?
The IUPAC name of 1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one (CID 134970255) is 1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one is COC1=CCN2C(=O)c3ccccc3C12O[Si](C)(C)C.
What is the InChIKey of 1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one?
The InChIKey is UPESJOODNGCUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3Si/c1-18-13-9-10-16-14(17)11-7-5-6-8-12(11)15(13,16)19-20(2,3)4/h5-9H,10H2,1-4H3.
What are the key properties of 1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one?
1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one has a molecular weight of 289.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-9b-trimethylsilyloxy-3H-pyrrolo[2,1-a]isoindol-5-one is sourced from PubChem (CID 134970255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).