potassium;butane-2,3-dione;ethanamine;hydride

C6H14KNO2 — CID 173333875

IUPACpotassium;butane-2,3-dione;ethanamine;hydride
SMILESCC(=O)C(C)=O.CCN.[H-].[K+]
InChIInChI=1S/C4H6O2.C2H7N.K.H/c1-3(5)4(2)6;1-2-3;;/h1-2H3;2-3H2,1H3;;/q;;+1;-1
InChIKeyJQUJXLOSEYCXDO-UHFFFAOYSA-N
MW171.28 g/mol
LogP-2.75
Rot. Bonds1

About potassium;butane-2,3-dione;ethanamine;hydride

potassium;butane-2,3-dione;ethanamine;hydride (PubChem CID 173333875) has the molecular formula C6H14KNO2 and a molecular weight of 171.28 g/mol. Its IUPAC name is potassium;butane-2,3-dione;ethanamine;hydride.

Molecular Properties

Compound Namepotassium;butane-2,3-dione;ethanamine;hydride
PubChem CID173333875
Molecular FormulaC6H14KNO2
Molecular Weight171.28 g/mol
Exact Mass171.07
IUPAC Namepotassium;butane-2,3-dione;ethanamine;hydride
SMILESCC(=O)C(C)=O.CCN.[H-].[K+]
InChIInChI=1S/C4H6O2.C2H7N.K.H/c1-3(5)4(2)6;1-2-3;;/h1-2H3;2-3H2,1H3;;/q;;+1;-1
InChIKeyJQUJXLOSEYCXDO-UHFFFAOYSA-N
XLogP-2.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 5-2.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;butane-2,3-dione;ethanamine;hydride?
The IUPAC name of potassium;butane-2,3-dione;ethanamine;hydride (CID 173333875) is potassium;butane-2,3-dione;ethanamine;hydride.
What is the SMILES notation for potassium;butane-2,3-dione;ethanamine;hydride?
The canonical SMILES for potassium;butane-2,3-dione;ethanamine;hydride is CC(=O)C(C)=O.CCN.[H-].[K+].
What is the InChIKey of potassium;butane-2,3-dione;ethanamine;hydride?
The InChIKey is JQUJXLOSEYCXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H7N.K.H/c1-3(5)4(2)6;1-2-3;;/h1-2H3;2-3H2,1H3;;/q;;+1;-1.
What are the key properties of potassium;butane-2,3-dione;ethanamine;hydride?
potassium;butane-2,3-dione;ethanamine;hydride has a molecular weight of 171.28 g/mol, XLogP of -2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;butane-2,3-dione;ethanamine;hydride is sourced from PubChem (CID 173333875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).