CID 53421756

C8H14N2Si — CID 53421756

IUPAC—
SMILESCc1nc([Si]C(C)C)[nH]c1C
InChIInChI=1S/C8H14N2Si/c1-5(2)11-8-9-6(3)7(4)10-8/h5H,1-4H3,(H,9,10)
InChIKeyOFVFSMYUKJYRJV-UHFFFAOYSA-N
MW166.30 g/mol
LogP1.18
Rot. Bonds2

About CID 53421756

CID 53421756 (PubChem CID 53421756) has the molecular formula C8H14N2Si and a molecular weight of 166.30 g/mol.

Molecular Properties

Compound NameCID 53421756
PubChem CID53421756
Molecular FormulaC8H14N2Si
Molecular Weight166.30 g/mol
Exact Mass166.09
IUPAC Name—
SMILESCc1nc([Si]C(C)C)[nH]c1C
InChIInChI=1S/C8H14N2Si/c1-5(2)11-8-9-6(3)7(4)10-8/h5H,1-4H3,(H,9,10)
InChIKeyOFVFSMYUKJYRJV-UHFFFAOYSA-N
XLogP1.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.30
LogP ≤ 51.18
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 CID 53421756?
The IUPAC name of CID 53421756 (CID 53421756) is not available.
What is the SMILES notation for CID 53421756?
The canonical SMILES for CID 53421756 is Cc1nc([Si]C(C)C)[nH]c1C.
What is the InChIKey of CID 53421756?
The InChIKey is OFVFSMYUKJYRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2Si/c1-5(2)11-8-9-6(3)7(4)10-8/h5H,1-4H3,(H,9,10).
What are the key properties of CID 53421756?
CID 53421756 has a molecular weight of 166.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53421756 is sourced from PubChem (CID 53421756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).