potassium N-ethylbut-3-ynamide

C6H8KNO — CID 156832373

IUPACpotassium N-ethylbut-3-ynamide
SMILESC#CCC(=O)NC[CH2-].[K+]
InChIInChI=1S/C6H8NO.K/c1-3-5-6(8)7-4-2;/h1H,2,4-5H2,(H,7,8);/q-1;+1
InChIKeyWCUGUNNZLNZKCB-UHFFFAOYSA-N
MW149.23 g/mol
LogP-3.04
Rot. Bonds2

About potassium N-ethylbut-3-ynamide

potassium N-ethylbut-3-ynamide (PubChem CID 156832373) has the molecular formula C6H8KNO and a molecular weight of 149.23 g/mol. Its IUPAC name is potassium N-ethylbut-3-ynamide.

Molecular Properties

Compound Namepotassium N-ethylbut-3-ynamide
PubChem CID156832373
Molecular FormulaC6H8KNO
Molecular Weight149.23 g/mol
Exact Mass149.02
IUPAC Namepotassium N-ethylbut-3-ynamide
SMILESC#CCC(=O)NC[CH2-].[K+]
InChIInChI=1S/C6H8NO.K/c1-3-5-6(8)7-4-2;/h1H,2,4-5H2,(H,7,8);/q-1;+1
InChIKeyWCUGUNNZLNZKCB-UHFFFAOYSA-N
XLogP-3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 5-3.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium N-ethylbut-3-ynamide?
The IUPAC name of potassium N-ethylbut-3-ynamide (CID 156832373) is potassium N-ethylbut-3-ynamide.
What is the SMILES notation for potassium N-ethylbut-3-ynamide?
The canonical SMILES for potassium N-ethylbut-3-ynamide is C#CCC(=O)NC[CH2-].[K+].
What is the InChIKey of potassium N-ethylbut-3-ynamide?
The InChIKey is WCUGUNNZLNZKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO.K/c1-3-5-6(8)7-4-2;/h1H,2,4-5H2,(H,7,8);/q-1;+1.
What are the key properties of potassium N-ethylbut-3-ynamide?
potassium N-ethylbut-3-ynamide has a molecular weight of 149.23 g/mol, XLogP of -3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-ethylbut-3-ynamide is sourced from PubChem (CID 156832373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).