2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine

C14H16AsN — CID 142248238

IUPAC2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine
SMILESC=CC1=C(C=C)[As](C)c2ccccc2N1C
InChIInChI=1S/C14H16AsN/c1-5-11-13(6-2)16(4)14-10-8-7-9-12(14)15(11)3/h5-10H,1-2H2,3-4H3
InChIKeyYRGZFDKGJGSQPI-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.63
Rot. Bonds2

About 2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine

2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine (PubChem CID 142248238) has the molecular formula C14H16AsN and a molecular weight of 273.21 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine
PubChem CID142248238
Molecular FormulaC14H16AsN
Molecular Weight273.21 g/mol
Exact Mass273.05
IUPAC Name2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine
SMILESC=CC1=C(C=C)[As](C)c2ccccc2N1C
InChIInChI=1S/C14H16AsN/c1-5-11-13(6-2)16(4)14-10-8-7-9-12(14)15(11)3/h5-10H,1-2H2,3-4H3
InChIKeyYRGZFDKGJGSQPI-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine?
The IUPAC name of 2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine (CID 142248238) is 2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine.
What is the SMILES notation for 2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine?
The canonical SMILES for 2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine is C=CC1=C(C=C)[As](C)c2ccccc2N1C.
What is the InChIKey of 2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine?
The InChIKey is YRGZFDKGJGSQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16AsN/c1-5-11-13(6-2)16(4)14-10-8-7-9-12(14)15(11)3/h5-10H,1-2H2,3-4H3.
What are the key properties of 2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine?
2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine has a molecular weight of 273.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine is sourced from PubChem (CID 142248238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).