CID 163394400

C12H15NSi — CID 163394400

IUPAC—
SMILESC=C[Si]C1C=C(C)C=CC1(C)CC#N
InChIInChI=1S/C12H15NSi/c1-4-14-11-9-10(2)5-6-12(11,3)7-8-13/h4-6,9,11H,1,7H2,2-3H3
InChIKeyRKPZIPJAKMLRDD-UHFFFAOYSA-N
MW201.34 g/mol
LogP3.06
Rot. Bonds3

About CID 163394400

CID 163394400 (PubChem CID 163394400) has the molecular formula C12H15NSi and a molecular weight of 201.34 g/mol.

Molecular Properties

Compound NameCID 163394400
PubChem CID163394400
Molecular FormulaC12H15NSi
Molecular Weight201.34 g/mol
Exact Mass201.10
IUPAC Name—
SMILESC=C[Si]C1C=C(C)C=CC1(C)CC#N
InChIInChI=1S/C12H15NSi/c1-4-14-11-9-10(2)5-6-12(11,3)7-8-13/h4-6,9,11H,1,7H2,2-3H3
InChIKeyRKPZIPJAKMLRDD-UHFFFAOYSA-N
XLogP3.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
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 163394400?
The IUPAC name of CID 163394400 (CID 163394400) is not available.
What is the SMILES notation for CID 163394400?
The canonical SMILES for CID 163394400 is C=C[Si]C1C=C(C)C=CC1(C)CC#N.
What is the InChIKey of CID 163394400?
The InChIKey is RKPZIPJAKMLRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NSi/c1-4-14-11-9-10(2)5-6-12(11,3)7-8-13/h4-6,9,11H,1,7H2,2-3H3.
What are the key properties of CID 163394400?
CID 163394400 has a molecular weight of 201.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163394400 is sourced from PubChem (CID 163394400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).