potassium 3-(methylamino)propan-1-one

C4H8KNO — CID 172598035

IUPACpotassium 3-(methylamino)propan-1-one
SMILESCNCC[C-]=O.[K+]
InChIInChI=1S/C4H8NO.K/c1-5-3-2-4-6;/h5H,2-3H2,1H3;/q-1;+1
InChIKeyWYFLZVKRRDHNII-UHFFFAOYSA-N
MW125.21 g/mol
LogP-3.29
Rot. Bonds3

About potassium 3-(methylamino)propan-1-one

potassium 3-(methylamino)propan-1-one (PubChem CID 172598035) has the molecular formula C4H8KNO and a molecular weight of 125.21 g/mol. Its IUPAC name is potassium 3-(methylamino)propan-1-one.

Molecular Properties

Compound Namepotassium 3-(methylamino)propan-1-one
PubChem CID172598035
Molecular FormulaC4H8KNO
Molecular Weight125.21 g/mol
Exact Mass125.02
IUPAC Namepotassium 3-(methylamino)propan-1-one
SMILESCNCC[C-]=O.[K+]
InChIInChI=1S/C4H8NO.K/c1-5-3-2-4-6;/h5H,2-3H2,1H3;/q-1;+1
InChIKeyWYFLZVKRRDHNII-UHFFFAOYSA-N
XLogP-3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 5-3.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium 3-(methylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 3-(methylamino)propan-1-one?
The IUPAC name of potassium 3-(methylamino)propan-1-one (CID 172598035) is potassium 3-(methylamino)propan-1-one.
What is the SMILES notation for potassium 3-(methylamino)propan-1-one?
The canonical SMILES for potassium 3-(methylamino)propan-1-one is CNCC[C-]=O.[K+].
What is the InChIKey of potassium 3-(methylamino)propan-1-one?
The InChIKey is WYFLZVKRRDHNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO.K/c1-5-3-2-4-6;/h5H,2-3H2,1H3;/q-1;+1.
What are the key properties of potassium 3-(methylamino)propan-1-one?
potassium 3-(methylamino)propan-1-one has a molecular weight of 125.21 g/mol, XLogP of -3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(methylamino)propan-1-one is sourced from PubChem (CID 172598035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).