3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one

C17H33NO2Si2 — CID 101372642

IUPAC3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
SMILESCC(=O)C1C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)C2CCCCC12
InChIInChI=1S/C17H33NO2Si2/c1-12(19)15-13-10-8-9-11-14(13)18(16(15)20)17(21(2,3)4)22(5,6)7/h13-15,17H,8-11H2,1-7H3
InChIKeyOSXNMWRCOBAPSH-UHFFFAOYSA-N
MW339.63 g/mol
LogP3.72
Rot. Bonds4

About 3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one

3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one (PubChem CID 101372642) has the molecular formula C17H33NO2Si2 and a molecular weight of 339.63 g/mol. Its IUPAC name is 3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one.

Molecular Properties

Compound Name3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
PubChem CID101372642
Molecular FormulaC17H33NO2Si2
Molecular Weight339.63 g/mol
Exact Mass339.20
IUPAC Name3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
SMILESCC(=O)C1C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)C2CCCCC12
InChIInChI=1S/C17H33NO2Si2/c1-12(19)15-13-10-8-9-11-14(13)18(16(15)20)17(21(2,3)4)22(5,6)7/h13-15,17H,8-11H2,1-7H3
InChIKeyOSXNMWRCOBAPSH-UHFFFAOYSA-N
XLogP3.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.63
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one?
The IUPAC name of 3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one (CID 101372642) is 3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one.
What is the SMILES notation for 3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one?
The canonical SMILES for 3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one is CC(=O)C1C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)C2CCCCC12.
What is the InChIKey of 3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one?
The InChIKey is OSXNMWRCOBAPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2Si2/c1-12(19)15-13-10-8-9-11-14(13)18(16(15)20)17(21(2,3)4)22(5,6)7/h13-15,17H,8-11H2,1-7H3.
What are the key properties of 3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one?
3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one has a molecular weight of 339.63 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one is sourced from PubChem (CID 101372642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).