CID 19910057

C6H8N3O2Si — CID 19910057

IUPAC—
SMILESC[Si](N)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C6H8N3O2Si/c1-12(7)6-5(9(10)11)3-2-4-8-6/h2-4H,7H2,1H3
InChIKeyKAODBUHJHUHDFB-UHFFFAOYSA-N
MW182.24 g/mol
LogP-0.22
Rot. Bonds2

About CID 19910057

CID 19910057 (PubChem CID 19910057) has the molecular formula C6H8N3O2Si and a molecular weight of 182.24 g/mol.

Molecular Properties

Compound NameCID 19910057
PubChem CID19910057
Molecular FormulaC6H8N3O2Si
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name—
SMILESC[Si](N)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C6H8N3O2Si/c1-12(7)6-5(9(10)11)3-2-4-8-6/h2-4H,7H2,1H3
InChIKeyKAODBUHJHUHDFB-UHFFFAOYSA-N
XLogP-0.22
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of CID 19910057?
The IUPAC name of CID 19910057 (CID 19910057) is not available.
What is the SMILES notation for CID 19910057?
The canonical SMILES for CID 19910057 is C[Si](N)c1ncccc1[N+](=O)[O-].
What is the InChIKey of CID 19910057?
The InChIKey is KAODBUHJHUHDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3O2Si/c1-12(7)6-5(9(10)11)3-2-4-8-6/h2-4H,7H2,1H3.
What are the key properties of CID 19910057?
CID 19910057 has a molecular weight of 182.24 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19910057 is sourced from PubChem (CID 19910057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).