potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide

C10H12KNO — CID 169219888

IUPACpotassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide
SMILESCC.Cc1noc2c[c-]ccc12.[K+]
InChIInChI=1S/C8H6NO.C2H6.K/c1-6-7-4-2-3-5-8(7)10-9-6;1-2;/h2,4-5H,1H3;1-2H3;/q-1;;+1
InChIKeyAPNICCABCOGGHB-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.03
Rot. Bonds

About potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide

potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide (PubChem CID 169219888) has the molecular formula C10H12KNO and a molecular weight of 201.31 g/mol. Its IUPAC name is potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide.

Molecular Properties

Compound Namepotassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide
PubChem CID169219888
Molecular FormulaC10H12KNO
Molecular Weight201.31 g/mol
Exact Mass201.06
IUPAC Namepotassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide
SMILESCC.Cc1noc2c[c-]ccc12.[K+]
InChIInChI=1S/C8H6NO.C2H6.K/c1-6-7-4-2-3-5-8(7)10-9-6;1-2;/h2,4-5H,1H3;1-2H3;/q-1;;+1
InChIKeyAPNICCABCOGGHB-UHFFFAOYSA-N
XLogP-0.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide?
The IUPAC name of potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide (CID 169219888) is potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide.
What is the SMILES notation for potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide?
The canonical SMILES for potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide is CC.Cc1noc2c[c-]ccc12.[K+].
What is the InChIKey of potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide?
The InChIKey is APNICCABCOGGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NO.C2H6.K/c1-6-7-4-2-3-5-8(7)10-9-6;1-2;/h2,4-5H,1H3;1-2H3;/q-1;;+1.
What are the key properties of potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide?
potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide has a molecular weight of 201.31 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethane;3-methyl-6H-1,2-benzoxazol-6-ide is sourced from PubChem (CID 169219888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).