1H-azepine;1,1-dimethylsilolane

C12H21NSi — CID 174915640

IUPAC1H-azepine;1,1-dimethylsilolane
SMILESC1=CC=CNC=C1.C[Si]1(C)CCCC1
InChIInChI=1S/C6H7N.C6H14Si/c1-2-4-6-7-5-3-1;1-7(2)5-3-4-6-7/h1-7H;3-6H2,1-2H3
InChIKeyHQYPYYJWCCSMBF-UHFFFAOYSA-N
MW207.39 g/mol
LogP3.66
Rot. Bonds

About 1H-azepine;1,1-dimethylsilolane

1H-azepine;1,1-dimethylsilolane (PubChem CID 174915640) has the molecular formula C12H21NSi and a molecular weight of 207.39 g/mol. Its IUPAC name is 1H-azepine;1,1-dimethylsilolane.

Molecular Properties

Compound Name1H-azepine;1,1-dimethylsilolane
PubChem CID174915640
Molecular FormulaC12H21NSi
Molecular Weight207.39 g/mol
Exact Mass207.14
IUPAC Name1H-azepine;1,1-dimethylsilolane
SMILESC1=CC=CNC=C1.C[Si]1(C)CCCC1
InChIInChI=1S/C6H7N.C6H14Si/c1-2-4-6-7-5-3-1;1-7(2)5-3-4-6-7/h1-7H;3-6H2,1-2H3
InChIKeyHQYPYYJWCCSMBF-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1H-azepine;1,1-dimethylsilolane?
The IUPAC name of 1H-azepine;1,1-dimethylsilolane (CID 174915640) is 1H-azepine;1,1-dimethylsilolane.
What is the SMILES notation for 1H-azepine;1,1-dimethylsilolane?
The canonical SMILES for 1H-azepine;1,1-dimethylsilolane is C1=CC=CNC=C1.C[Si]1(C)CCCC1.
What is the InChIKey of 1H-azepine;1,1-dimethylsilolane?
The InChIKey is HQYPYYJWCCSMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C6H14Si/c1-2-4-6-7-5-3-1;1-7(2)5-3-4-6-7/h1-7H;3-6H2,1-2H3.
What are the key properties of 1H-azepine;1,1-dimethylsilolane?
1H-azepine;1,1-dimethylsilolane has a molecular weight of 207.39 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;1,1-dimethylsilolane is sourced from PubChem (CID 174915640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).