CID 54218731

C15H16NOSi — CID 54218731

IUPAC—
SMILESC=[Si]OCc1cc(C)c(-c2cccc(C)c2)cn1
InChIInChI=1S/C15H16NOSi/c1-11-5-4-6-13(7-11)15-9-16-14(8-12(15)2)10-17-18-3/h4-9H,3,10H2,1-2H3
InChIKeyHPFHDHGGGQWZTF-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.93
Rot. Bonds4

About CID 54218731

CID 54218731 (PubChem CID 54218731) has the molecular formula C15H16NOSi and a molecular weight of 254.38 g/mol.

Molecular Properties

Compound NameCID 54218731
PubChem CID54218731
Molecular FormulaC15H16NOSi
Molecular Weight254.38 g/mol
Exact Mass254.10
IUPAC Name—
SMILESC=[Si]OCc1cc(C)c(-c2cccc(C)c2)cn1
InChIInChI=1S/C15H16NOSi/c1-11-5-4-6-13(7-11)15-9-16-14(8-12(15)2)10-17-18-3/h4-9H,3,10H2,1-2H3
InChIKeyHPFHDHGGGQWZTF-UHFFFAOYSA-N
XLogP2.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 54218731?
The IUPAC name of CID 54218731 (CID 54218731) is not available.
What is the SMILES notation for CID 54218731?
The canonical SMILES for CID 54218731 is C=[Si]OCc1cc(C)c(-c2cccc(C)c2)cn1.
What is the InChIKey of CID 54218731?
The InChIKey is HPFHDHGGGQWZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NOSi/c1-11-5-4-6-13(7-11)15-9-16-14(8-12(15)2)10-17-18-3/h4-9H,3,10H2,1-2H3.
What are the key properties of CID 54218731?
CID 54218731 has a molecular weight of 254.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54218731 is sourced from PubChem (CID 54218731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).