CID 123957256

C9H16N2O3Si — CID 123957256

IUPAC—
SMILESCOC(=O)C(=[N+]=[N-])C(C)O[Si]C(C)(C)C
InChIInChI=1S/C9H16N2O3Si/c1-6(14-15-9(2,3)4)7(11-10)8(12)13-5/h6H,1-5H3
InChIKeyGECQCNCQBGGSDN-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.07
Rot. Bonds4

About CID 123957256

CID 123957256 (PubChem CID 123957256) has the molecular formula C9H16N2O3Si and a molecular weight of 228.32 g/mol.

Molecular Properties

Compound NameCID 123957256
PubChem CID123957256
Molecular FormulaC9H16N2O3Si
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name—
SMILESCOC(=O)C(=[N+]=[N-])C(C)O[Si]C(C)(C)C
InChIInChI=1S/C9H16N2O3Si/c1-6(14-15-9(2,3)4)7(11-10)8(12)13-5/h6H,1-5H3
InChIKeyGECQCNCQBGGSDN-UHFFFAOYSA-N
XLogP1.07
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 123957256?
The IUPAC name of CID 123957256 (CID 123957256) is not available.
What is the SMILES notation for CID 123957256?
The canonical SMILES for CID 123957256 is COC(=O)C(=[N+]=[N-])C(C)O[Si]C(C)(C)C.
What is the InChIKey of CID 123957256?
The InChIKey is GECQCNCQBGGSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3Si/c1-6(14-15-9(2,3)4)7(11-10)8(12)13-5/h6H,1-5H3.
What are the key properties of CID 123957256?
CID 123957256 has a molecular weight of 228.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123957256 is sourced from PubChem (CID 123957256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).