1H-azepine;silolane

C10H17NSi — CID 174753161

IUPAC1H-azepine;silolane
SMILESC1=CC=CNC=C1.C1CC[SiH2]C1
InChIInChI=1S/C6H7N.C4H10Si/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h1-7H;1-5H2
InChIKeyWMQCPBRSFGFVCP-UHFFFAOYSA-N
MW179.34 g/mol
LogP1.96
Rot. Bonds

About 1H-azepine;silolane

1H-azepine;silolane (PubChem CID 174753161) has the molecular formula C10H17NSi and a molecular weight of 179.34 g/mol. Its IUPAC name is 1H-azepine;silolane.

Molecular Properties

Compound Name1H-azepine;silolane
PubChem CID174753161
Molecular FormulaC10H17NSi
Molecular Weight179.34 g/mol
Exact Mass179.11
IUPAC Name1H-azepine;silolane
SMILESC1=CC=CNC=C1.C1CC[SiH2]C1
InChIInChI=1S/C6H7N.C4H10Si/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h1-7H;1-5H2
InChIKeyWMQCPBRSFGFVCP-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.34
LogP ≤ 51.96
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;silolane?
The IUPAC name of 1H-azepine;silolane (CID 174753161) is 1H-azepine;silolane.
What is the SMILES notation for 1H-azepine;silolane?
The canonical SMILES for 1H-azepine;silolane is C1=CC=CNC=C1.C1CC[SiH2]C1.
What is the InChIKey of 1H-azepine;silolane?
The InChIKey is WMQCPBRSFGFVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H10Si/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h1-7H;1-5H2.
What are the key properties of 1H-azepine;silolane?
1H-azepine;silolane has a molecular weight of 179.34 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;silolane is sourced from PubChem (CID 174753161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).