potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide

C8H14BF3KNO — CID 104512875

IUPACpotassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide
SMILESCCCC1CC(=O)N(C[B-](F)(F)F)C1.[K+]
InChIInChI=1S/C8H14BF3NO.K/c1-2-3-7-4-8(14)13(5-7)6-9(10,11)12;/h7H,2-6H2,1H3;/q-1;+1
InChIKeyZZJIMVSGJFNBJB-UHFFFAOYSA-N
MW247.11 g/mol
LogP-0.97
Rot. Bonds4

About potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide

potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide (PubChem CID 104512875) has the molecular formula C8H14BF3KNO and a molecular weight of 247.11 g/mol. Its IUPAC name is potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide
PubChem CID104512875
Molecular FormulaC8H14BF3KNO
Molecular Weight247.11 g/mol
Exact Mass247.08
IUPAC Namepotassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide
SMILESCCCC1CC(=O)N(C[B-](F)(F)F)C1.[K+]
InChIInChI=1S/C8H14BF3NO.K/c1-2-3-7-4-8(14)13(5-7)6-9(10,11)12;/h7H,2-6H2,1H3;/q-1;+1
InChIKeyZZJIMVSGJFNBJB-UHFFFAOYSA-N
XLogP-0.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
1-(4-oxopentyl)-4-propylpyrrolidin-2-one
CID 104512085
1-(2-ethylphosphanyl-2-oxoethyl)-4-propylpyrrolidin-2-one
CID 143347806
4-propyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one
CID 103074087
1-(4-aminopentyl)-4-propylpyrrolidin-2-one
CID 104511377
1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one
CID 104511344
1-[2-ethyl-2-(sulfanylmethyl)butyl]-4-propylpyrrolidin-2-one
CID 104512885
2,2-dimethyl-3-(2-oxo-4-propylpyrrolidin-1-yl)propanoic acid
CID 104511137
1-(3-methyl-5-sulfanylpentyl)-4-propylpyrrolidin-2-one
CID 104512882
1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104510978
1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 104511593
3-(2-oxo-4-propylpyrrolidin-1-yl)propanehydrazide
CID 104512815

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide (CID 104512875) is potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide is CCCC1CC(=O)N(C[B-](F)(F)F)C1.[K+].
What is the InChIKey of potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide?
The InChIKey is ZZJIMVSGJFNBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BF3NO.K/c1-2-3-7-4-8(14)13(5-7)6-9(10,11)12;/h7H,2-6H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide?
potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide has a molecular weight of 247.11 g/mol, XLogP of -0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide is sourced from PubChem (CID 104512875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).