CID 134872831

C9H12NOSi — CID 134872831

IUPAC—
SMILESC/C=C/CC(C#N)(/C=C/C)O[Si]
InChIInChI=1S/C9H12NOSi/c1-3-5-7-9(8-10,11-12)6-4-2/h3-6H,7H2,1-2H3/b5-3+,6-4+
InChIKeyGQHGOIMHMHCDAJ-GGWOSOGESA-N
MW178.29 g/mol
LogP1.89
Rot. Bonds4

About CID 134872831

CID 134872831 (PubChem CID 134872831) has the molecular formula C9H12NOSi and a molecular weight of 178.29 g/mol.

Molecular Properties

Compound NameCID 134872831
PubChem CID134872831
Molecular FormulaC9H12NOSi
Molecular Weight178.29 g/mol
Exact Mass178.07
IUPAC Name—
SMILESC/C=C/CC(C#N)(/C=C/C)O[Si]
InChIInChI=1S/C9H12NOSi/c1-3-5-7-9(8-10,11-12)6-4-2/h3-6H,7H2,1-2H3/b5-3+,6-4+
InChIKeyGQHGOIMHMHCDAJ-GGWOSOGESA-N
XLogP1.89
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134872831?
The IUPAC name of CID 134872831 (CID 134872831) is not available.
What is the SMILES notation for CID 134872831?
The canonical SMILES for CID 134872831 is C/C=C/CC(C#N)(/C=C/C)O[Si].
What is the InChIKey of CID 134872831?
The InChIKey is GQHGOIMHMHCDAJ-GGWOSOGESA-N. The full InChI is InChI=1S/C9H12NOSi/c1-3-5-7-9(8-10,11-12)6-4-2/h3-6H,7H2,1-2H3/b5-3+,6-4+.
What are the key properties of CID 134872831?
CID 134872831 has a molecular weight of 178.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134872831 is sourced from PubChem (CID 134872831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).