potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate

C11H23KNO- — CID 176568266

IUPACpotassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate
SMILESC=C1CCC(C[O-])N(C)C1.CC.[CH3-].[K+]
InChIInChI=1S/C8H14NO.C2H6.CH3.K/c1-7-3-4-8(6-10)9(2)5-7;1-2;;/h8H,1,3-6H2,2H3;1-2H3;1H3;/q-1;;-1;+1
InChIKeyQKPBJIRWZQLIOW-UHFFFAOYSA-N
MW224.41 g/mol
LogP-1.52
Rot. Bonds1

About potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate

potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate (PubChem CID 176568266) has the molecular formula C11H23KNO- and a molecular weight of 224.41 g/mol. Its IUPAC name is potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate.

Molecular Properties

Compound Namepotassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate
PubChem CID176568266
Molecular FormulaC11H23KNO-
Molecular Weight224.41 g/mol
Exact Mass224.14
IUPAC Namepotassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate
SMILESC=C1CCC(C[O-])N(C)C1.CC.[CH3-].[K+]
InChIInChI=1S/C8H14NO.C2H6.CH3.K/c1-7-3-4-8(6-10)9(2)5-7;1-2;;/h8H,1,3-6H2,2H3;1-2H3;1H3;/q-1;;-1;+1
InChIKeyQKPBJIRWZQLIOW-UHFFFAOYSA-N
XLogP-1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.41
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate?
The IUPAC name of potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate (CID 176568266) is potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate.
What is the SMILES notation for potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate?
The canonical SMILES for potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate is C=C1CCC(C[O-])N(C)C1.CC.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate?
The InChIKey is QKPBJIRWZQLIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO.C2H6.CH3.K/c1-7-3-4-8(6-10)9(2)5-7;1-2;;/h8H,1,3-6H2,2H3;1-2H3;1H3;/q-1;;-1;+1.
What are the key properties of potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate?
potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate has a molecular weight of 224.41 g/mol, XLogP of -1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;ethane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate is sourced from PubChem (CID 176568266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).