diazinan-1-yl(methylarsanyl)methanone

C6H13AsN2O — CID 173274615

IUPACdiazinan-1-yl(methylarsanyl)methanone
SMILESC[AsH]C(=O)N1CCCCN1
InChIInChI=1S/C6H13AsN2O/c1-7-6(10)9-5-3-2-4-8-9/h7-8H,2-5H2,1H3
InChIKeyGLAFZDDLOHVCTI-UHFFFAOYSA-N
MW204.10 g/mol
LogP0.19
Rot. Bonds1

About diazinan-1-yl(methylarsanyl)methanone

diazinan-1-yl(methylarsanyl)methanone (PubChem CID 173274615) has the molecular formula C6H13AsN2O and a molecular weight of 204.10 g/mol. Its IUPAC name is diazinan-1-yl(methylarsanyl)methanone.

Molecular Properties

Compound Namediazinan-1-yl(methylarsanyl)methanone
PubChem CID173274615
Molecular FormulaC6H13AsN2O
Molecular Weight204.10 g/mol
Exact Mass204.02
IUPAC Namediazinan-1-yl(methylarsanyl)methanone
SMILESC[AsH]C(=O)N1CCCCN1
InChIInChI=1S/C6H13AsN2O/c1-7-6(10)9-5-3-2-4-8-9/h7-8H,2-5H2,1H3
InChIKeyGLAFZDDLOHVCTI-UHFFFAOYSA-N
XLogP0.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 diazinan-1-yl(methylarsanyl)methanone?
The IUPAC name of diazinan-1-yl(methylarsanyl)methanone (CID 173274615) is diazinan-1-yl(methylarsanyl)methanone.
What is the SMILES notation for diazinan-1-yl(methylarsanyl)methanone?
The canonical SMILES for diazinan-1-yl(methylarsanyl)methanone is C[AsH]C(=O)N1CCCCN1.
What is the InChIKey of diazinan-1-yl(methylarsanyl)methanone?
The InChIKey is GLAFZDDLOHVCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13AsN2O/c1-7-6(10)9-5-3-2-4-8-9/h7-8H,2-5H2,1H3.
What are the key properties of diazinan-1-yl(methylarsanyl)methanone?
diazinan-1-yl(methylarsanyl)methanone has a molecular weight of 204.10 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazinan-1-yl(methylarsanyl)methanone is sourced from PubChem (CID 173274615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).