CID 156632437

C8H12N3O3Si — CID 156632437

IUPAC—
SMILESCCC([Si])n1c(=O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H12N3O3Si/c1-4-5(15)11-7(13)9(2)6(12)10(3)8(11)14/h5H,4H2,1-3H3
InChIKeyBXANGHXILIIHSS-UHFFFAOYSA-N
MW226.29 g/mol
LogP-1.68
Rot. Bonds2

About CID 156632437

CID 156632437 (PubChem CID 156632437) has the molecular formula C8H12N3O3Si and a molecular weight of 226.29 g/mol.

Molecular Properties

Compound NameCID 156632437
PubChem CID156632437
Molecular FormulaC8H12N3O3Si
Molecular Weight226.29 g/mol
Exact Mass226.06
IUPAC Name—
SMILESCCC([Si])n1c(=O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H12N3O3Si/c1-4-5(15)11-7(13)9(2)6(12)10(3)8(11)14/h5H,4H2,1-3H3
InChIKeyBXANGHXILIIHSS-UHFFFAOYSA-N
XLogP-1.68
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 156632437?
The IUPAC name of CID 156632437 (CID 156632437) is not available.
What is the SMILES notation for CID 156632437?
The canonical SMILES for CID 156632437 is CCC([Si])n1c(=O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of CID 156632437?
The InChIKey is BXANGHXILIIHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N3O3Si/c1-4-5(15)11-7(13)9(2)6(12)10(3)8(11)14/h5H,4H2,1-3H3.
What are the key properties of CID 156632437?
CID 156632437 has a molecular weight of 226.29 g/mol, XLogP of -1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156632437 is sourced from PubChem (CID 156632437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).