2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one

C13H25NOSi — CID 134860968

IUPAC2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one
SMILESCN1CCC2CCC(=O)CC2C1[Si](C)(C)C
InChIInChI=1S/C13H25NOSi/c1-14-8-7-10-5-6-11(15)9-12(10)13(14)16(2,3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyLTZILTYUYBHSRN-UHFFFAOYSA-N
MW239.43 g/mol
LogP2.55
Rot. Bonds1

About 2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one

2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one (PubChem CID 134860968) has the molecular formula C13H25NOSi and a molecular weight of 239.43 g/mol. Its IUPAC name is 2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one.

Molecular Properties

Compound Name2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one
PubChem CID134860968
Molecular FormulaC13H25NOSi
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one
SMILESCN1CCC2CCC(=O)CC2C1[Si](C)(C)C
InChIInChI=1S/C13H25NOSi/c1-14-8-7-10-5-6-11(15)9-12(10)13(14)16(2,3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyLTZILTYUYBHSRN-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one?
The IUPAC name of 2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one (CID 134860968) is 2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one.
What is the SMILES notation for 2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one?
The canonical SMILES for 2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one is CN1CCC2CCC(=O)CC2C1[Si](C)(C)C.
What is the InChIKey of 2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one?
The InChIKey is LTZILTYUYBHSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOSi/c1-14-8-7-10-5-6-11(15)9-12(10)13(14)16(2,3)4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one?
2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one has a molecular weight of 239.43 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-trimethylsilyl-1,3,4,4a,5,6,8,8a-octahydroisoquinolin-7-one is sourced from PubChem (CID 134860968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).