CID 153322083

C22H22N3O3Si — CID 153322083

IUPAC—
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(C[Si](c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C22H22N3O3Si/c1-3-15-23-20(26)24(16-4-2)22(28)25(21(23)27)17-29(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h3-14H,1-2,15-17H2
InChIKeyPAOHYFYVWDLXEZ-UHFFFAOYSA-N
MW404.52 g/mol
LogP0.39
Rot. Bonds8

About CID 153322083

CID 153322083 (PubChem CID 153322083) has the molecular formula C22H22N3O3Si and a molecular weight of 404.52 g/mol.

Molecular Properties

Compound NameCID 153322083
PubChem CID153322083
Molecular FormulaC22H22N3O3Si
Molecular Weight404.52 g/mol
Exact Mass404.14
IUPAC Name—
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(C[Si](c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C22H22N3O3Si/c1-3-15-23-20(26)24(16-4-2)22(28)25(21(23)27)17-29(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h3-14H,1-2,15-17H2
InChIKeyPAOHYFYVWDLXEZ-UHFFFAOYSA-N
XLogP0.39
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 153322083?
The IUPAC name of CID 153322083 (CID 153322083) is not available.
What is the SMILES notation for CID 153322083?
The canonical SMILES for CID 153322083 is C=CCn1c(=O)n(CC=C)c(=O)n(C[Si](c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of CID 153322083?
The InChIKey is PAOHYFYVWDLXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N3O3Si/c1-3-15-23-20(26)24(16-4-2)22(28)25(21(23)27)17-29(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h3-14H,1-2,15-17H2.
What are the key properties of CID 153322083?
CID 153322083 has a molecular weight of 404.52 g/mol, XLogP of 0.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153322083 is sourced from PubChem (CID 153322083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).