CID 23358530

C10H11N2O3Si — CID 23358530

IUPAC—
SMILESO=C(NCCC[Si])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N2O3Si/c13-10(11-6-1-7-16)8-2-4-9(5-3-8)12(14)15/h2-5H,1,6-7H2,(H,11,13)
InChIKeyXCJQOYQTMIQECN-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.30
Rot. Bonds5

About CID 23358530

CID 23358530 (PubChem CID 23358530) has the molecular formula C10H11N2O3Si and a molecular weight of 235.29 g/mol.

Molecular Properties

Compound NameCID 23358530
PubChem CID23358530
Molecular FormulaC10H11N2O3Si
Molecular Weight235.29 g/mol
Exact Mass235.05
IUPAC Name—
SMILESO=C(NCCC[Si])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N2O3Si/c13-10(11-6-1-7-16)8-2-4-9(5-3-8)12(14)15/h2-5H,1,6-7H2,(H,11,13)
InChIKeyXCJQOYQTMIQECN-UHFFFAOYSA-N
XLogP1.30
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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6-[(4-nitrobenzoyl)amino]hexyl methanesulfonate
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4-nitro-N-[2-(propanoylamino)ethyl]benzamide
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N-(2-ethylsulfonylethyl)-4-nitrobenzamide
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Frequently Asked Questions

What is the IUPAC name of CID 23358530?
The IUPAC name of CID 23358530 (CID 23358530) is not available.
What is the SMILES notation for CID 23358530?
The canonical SMILES for CID 23358530 is O=C(NCCC[Si])c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of CID 23358530?
The InChIKey is XCJQOYQTMIQECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O3Si/c13-10(11-6-1-7-16)8-2-4-9(5-3-8)12(14)15/h2-5H,1,6-7H2,(H,11,13).
What are the key properties of CID 23358530?
CID 23358530 has a molecular weight of 235.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23358530 is sourced from PubChem (CID 23358530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).