2,3-dimethyl-1H-arsonine

C10H13As — CID 151346463

IUPAC2,3-dimethyl-1H-arsonine
SMILESCC1=C(\C)[AsH]/C=C\C=C/C=C\1
InChIInChI=1S/C10H13As/c1-9-7-5-3-4-6-8-11-10(9)2/h3-8,11H,1-2H3/b4-3-,7-5-,8-6-,10-9-
InChIKeyOLONUCYRGMZRCW-JZYNTAPWSA-N
MW208.14 g/mol
LogP2.36
Rot. Bonds

About 2,3-dimethyl-1H-arsonine

2,3-dimethyl-1H-arsonine (PubChem CID 151346463) has the molecular formula C10H13As and a molecular weight of 208.14 g/mol. Its IUPAC name is 2,3-dimethyl-1H-arsonine.

Molecular Properties

Compound Name2,3-dimethyl-1H-arsonine
PubChem CID151346463
Molecular FormulaC10H13As
Molecular Weight208.14 g/mol
Exact Mass208.02
IUPAC Name2,3-dimethyl-1H-arsonine
SMILESCC1=C(\C)[AsH]/C=C\C=C/C=C\1
InChIInChI=1S/C10H13As/c1-9-7-5-3-4-6-8-11-10(9)2/h3-8,11H,1-2H3/b4-3-,7-5-,8-6-,10-9-
InChIKeyOLONUCYRGMZRCW-JZYNTAPWSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2,3-dimethyl-1H-arsonine?
The IUPAC name of 2,3-dimethyl-1H-arsonine (CID 151346463) is 2,3-dimethyl-1H-arsonine.
What is the SMILES notation for 2,3-dimethyl-1H-arsonine?
The canonical SMILES for 2,3-dimethyl-1H-arsonine is CC1=C(\C)[AsH]/C=C\C=C/C=C\1.
What is the InChIKey of 2,3-dimethyl-1H-arsonine?
The InChIKey is OLONUCYRGMZRCW-JZYNTAPWSA-N. The full InChI is InChI=1S/C10H13As/c1-9-7-5-3-4-6-8-11-10(9)2/h3-8,11H,1-2H3/b4-3-,7-5-,8-6-,10-9-.
What are the key properties of 2,3-dimethyl-1H-arsonine?
2,3-dimethyl-1H-arsonine has a molecular weight of 208.14 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-arsonine is sourced from PubChem (CID 151346463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).