2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane

C15H19NSi — CID 11831582

IUPAC2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#C[C@H]1[C@H]2c3ccccc3CCN21
InChIInChI=1S/C15H19NSi/c1-17(2,3)11-9-14-15-13-7-5-4-6-12(13)8-10-16(14)15/h4-7,14-15H,8,10H2,1-3H3/t14-,15+,16?/m0/s1
InChIKeyKNDUCZFXKHKXME-QMRHZFGWSA-N
MW241.41 g/mol
LogP2.85
Rot. Bonds

About 2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane

2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane (PubChem CID 11831582) has the molecular formula C15H19NSi and a molecular weight of 241.41 g/mol. Its IUPAC name is 2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane
PubChem CID11831582
Molecular FormulaC15H19NSi
Molecular Weight241.41 g/mol
Exact Mass241.13
IUPAC Name2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#C[C@H]1[C@H]2c3ccccc3CCN21
InChIInChI=1S/C15H19NSi/c1-17(2,3)11-9-14-15-13-7-5-4-6-12(13)8-10-16(14)15/h4-7,14-15H,8,10H2,1-3H3/t14-,15+,16?/m0/s1
InChIKeyKNDUCZFXKHKXME-QMRHZFGWSA-N
XLogP2.85
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane (CID 11831582) is 2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane is C[Si](C)(C)C#C[C@H]1[C@H]2c3ccccc3CCN21.
What is the InChIKey of 2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane?
The InChIKey is KNDUCZFXKHKXME-QMRHZFGWSA-N. The full InChI is InChI=1S/C15H19NSi/c1-17(2,3)11-9-14-15-13-7-5-4-6-12(13)8-10-16(14)15/h4-7,14-15H,8,10H2,1-3H3/t14-,15+,16?/m0/s1.
What are the key properties of 2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane?
2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane has a molecular weight of 241.41 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,8bR)-1,3,4,8b-tetrahydroazirino[2,1-a]isoquinolin-1-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 11831582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).