CID 140676845

C9H15N2Si+ — CID 140676845

IUPAC—
SMILESCCC[N+]1=CC=C2CCCN2[Si]1
InChIInChI=1S/C9H15N2Si/c1-2-6-10-8-5-9-4-3-7-11(9)12-10/h5,8H,2-4,6-7H2,1H3/q+1
InChIKeyBYQHPDMBAHPOIA-UHFFFAOYSA-N
MW179.32 g/mol
LogP1.01
Rot. Bonds2

About CID 140676845

CID 140676845 (PubChem CID 140676845) has the molecular formula C9H15N2Si+ and a molecular weight of 179.32 g/mol.

Molecular Properties

Compound NameCID 140676845
PubChem CID140676845
Molecular FormulaC9H15N2Si+
Molecular Weight179.32 g/mol
Exact Mass179.10
IUPAC Name—
SMILESCCC[N+]1=CC=C2CCCN2[Si]1
InChIInChI=1S/C9H15N2Si/c1-2-6-10-8-5-9-4-3-7-11(9)12-10/h5,8H,2-4,6-7H2,1H3/q+1
InChIKeyBYQHPDMBAHPOIA-UHFFFAOYSA-N
XLogP1.01
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.32
LogP ≤ 51.01
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 140676845?
The IUPAC name of CID 140676845 (CID 140676845) is not available.
What is the SMILES notation for CID 140676845?
The canonical SMILES for CID 140676845 is CCC[N+]1=CC=C2CCCN2[Si]1.
What is the InChIKey of CID 140676845?
The InChIKey is BYQHPDMBAHPOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2Si/c1-2-6-10-8-5-9-4-3-7-11(9)12-10/h5,8H,2-4,6-7H2,1H3/q+1.
What are the key properties of CID 140676845?
CID 140676845 has a molecular weight of 179.32 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140676845 is sourced from PubChem (CID 140676845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).