CID 153322096

C16H17N3O3Si — CID 153322096

IUPAC—
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(C[Si]c2ccccc2)c1=O
InChIInChI=1S/C16H17N3O3Si/c1-3-10-17-14(20)18(11-4-2)16(22)19(15(17)21)12-23-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyQNSQVPDWTWZQAI-UHFFFAOYSA-N
MW327.42 g/mol
LogP-0.47
Rot. Bonds7

About CID 153322096

CID 153322096 (PubChem CID 153322096) has the molecular formula C16H17N3O3Si and a molecular weight of 327.42 g/mol.

Molecular Properties

Compound NameCID 153322096
PubChem CID153322096
Molecular FormulaC16H17N3O3Si
Molecular Weight327.42 g/mol
Exact Mass327.10
IUPAC Name—
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(C[Si]c2ccccc2)c1=O
InChIInChI=1S/C16H17N3O3Si/c1-3-10-17-14(20)18(11-4-2)16(22)19(15(17)21)12-23-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyQNSQVPDWTWZQAI-UHFFFAOYSA-N
XLogP-0.47
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 5-0.47
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 153322096?
The IUPAC name of CID 153322096 (CID 153322096) is not available.
What is the SMILES notation for CID 153322096?
The canonical SMILES for CID 153322096 is C=CCn1c(=O)n(CC=C)c(=O)n(C[Si]c2ccccc2)c1=O.
What is the InChIKey of CID 153322096?
The InChIKey is QNSQVPDWTWZQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3Si/c1-3-10-17-14(20)18(11-4-2)16(22)19(15(17)21)12-23-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2.
What are the key properties of CID 153322096?
CID 153322096 has a molecular weight of 327.42 g/mol, XLogP of -0.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153322096 is sourced from PubChem (CID 153322096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).