CID 140807044

C13H19BrNSi — CID 140807044

IUPAC—
SMILESCC[Si](CC)C1CNc2c(Br)cccc2C1
InChIInChI=1S/C13H19BrNSi/c1-3-16(4-2)11-8-10-6-5-7-12(14)13(10)15-9-11/h5-7,11,15H,3-4,8-9H2,1-2H3
InChIKeyPQGVDAYLYJBZGW-UHFFFAOYSA-N
MW297.29 g/mol
LogP4.32
Rot. Bonds3

About CID 140807044

CID 140807044 (PubChem CID 140807044) has the molecular formula C13H19BrNSi and a molecular weight of 297.29 g/mol.

Molecular Properties

Compound NameCID 140807044
PubChem CID140807044
Molecular FormulaC13H19BrNSi
Molecular Weight297.29 g/mol
Exact Mass296.05
IUPAC Name—
SMILESCC[Si](CC)C1CNc2c(Br)cccc2C1
InChIInChI=1S/C13H19BrNSi/c1-3-16(4-2)11-8-10-6-5-7-12(14)13(10)15-9-11/h5-7,11,15H,3-4,8-9H2,1-2H3
InChIKeyPQGVDAYLYJBZGW-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 54.32
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 140807044?
The IUPAC name of CID 140807044 (CID 140807044) is not available.
What is the SMILES notation for CID 140807044?
The canonical SMILES for CID 140807044 is CC[Si](CC)C1CNc2c(Br)cccc2C1.
What is the InChIKey of CID 140807044?
The InChIKey is PQGVDAYLYJBZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrNSi/c1-3-16(4-2)11-8-10-6-5-7-12(14)13(10)15-9-11/h5-7,11,15H,3-4,8-9H2,1-2H3.
What are the key properties of CID 140807044?
CID 140807044 has a molecular weight of 297.29 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140807044 is sourced from PubChem (CID 140807044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).