CID 153322092

C16H25N3O3Si — CID 153322092

IUPAC—
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(C[Si]CCCCCC)c1=O
InChIInChI=1S/C16H25N3O3Si/c1-4-7-8-9-12-23-13-19-15(21)17(10-5-2)14(20)18(11-6-3)16(19)22/h5-6H,2-4,7-13H2,1H3
InChIKeyZLXJXFZXMGNJNR-UHFFFAOYSA-N
MW335.48 g/mol
LogP1.20
Rot. Bonds11

About CID 153322092

CID 153322092 (PubChem CID 153322092) has the molecular formula C16H25N3O3Si and a molecular weight of 335.48 g/mol.

Molecular Properties

Compound NameCID 153322092
PubChem CID153322092
Molecular FormulaC16H25N3O3Si
Molecular Weight335.48 g/mol
Exact Mass335.17
IUPAC Name—
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(C[Si]CCCCCC)c1=O
InChIInChI=1S/C16H25N3O3Si/c1-4-7-8-9-12-23-13-19-15(21)17(10-5-2)14(20)18(11-6-3)16(19)22/h5-6H,2-4,7-13H2,1H3
InChIKeyZLXJXFZXMGNJNR-UHFFFAOYSA-N
XLogP1.20
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 153322092?
The IUPAC name of CID 153322092 (CID 153322092) is not available.
What is the SMILES notation for CID 153322092?
The canonical SMILES for CID 153322092 is C=CCn1c(=O)n(CC=C)c(=O)n(C[Si]CCCCCC)c1=O.
What is the InChIKey of CID 153322092?
The InChIKey is ZLXJXFZXMGNJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3Si/c1-4-7-8-9-12-23-13-19-15(21)17(10-5-2)14(20)18(11-6-3)16(19)22/h5-6H,2-4,7-13H2,1H3.
What are the key properties of CID 153322092?
CID 153322092 has a molecular weight of 335.48 g/mol, XLogP of 1.20, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153322092 is sourced from PubChem (CID 153322092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).