CID 90458659

C15H18NO2Si — CID 90458659

IUPAC—
SMILESCc1cccc(O[Si](C)C)c1/N=C/Cc1ccco1
InChIInChI=1S/C15H18NO2Si/c1-12-6-4-8-14(18-19(2)3)15(12)16-10-9-13-7-5-11-17-13/h4-8,10-11H,9H2,1-3H3/b16-10+
InChIKeySYPGEYUWYPXWHK-MHWRWJLKSA-N
MW272.40 g/mol
LogP4.16
Rot. Bonds5

About CID 90458659

CID 90458659 (PubChem CID 90458659) has the molecular formula C15H18NO2Si and a molecular weight of 272.40 g/mol.

Molecular Properties

Compound NameCID 90458659
PubChem CID90458659
Molecular FormulaC15H18NO2Si
Molecular Weight272.40 g/mol
Exact Mass272.11
IUPAC Name—
SMILESCc1cccc(O[Si](C)C)c1/N=C/Cc1ccco1
InChIInChI=1S/C15H18NO2Si/c1-12-6-4-8-14(18-19(2)3)15(12)16-10-9-13-7-5-11-17-13/h4-8,10-11H,9H2,1-3H3/b16-10+
InChIKeySYPGEYUWYPXWHK-MHWRWJLKSA-N
XLogP4.16
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 90458659?
The IUPAC name of CID 90458659 (CID 90458659) is not available.
What is the SMILES notation for CID 90458659?
The canonical SMILES for CID 90458659 is Cc1cccc(O[Si](C)C)c1/N=C/Cc1ccco1.
What is the InChIKey of CID 90458659?
The InChIKey is SYPGEYUWYPXWHK-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H18NO2Si/c1-12-6-4-8-14(18-19(2)3)15(12)16-10-9-13-7-5-11-17-13/h4-8,10-11H,9H2,1-3H3/b16-10+.
What are the key properties of CID 90458659?
CID 90458659 has a molecular weight of 272.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90458659 is sourced from PubChem (CID 90458659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).