potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate

C12H11ClKNO2 — CID 127035155

IUPACpotassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate
SMILESCC(/N=C/C=C/c1ccc(Cl)cc1)C(=O)[O-].[K+]
InChIInChI=1S/C12H12ClNO2.K/c1-9(12(15)16)14-8-2-3-10-4-6-11(13)7-5-10;/h2-9H,1H3,(H,15,16);/q;+1/p-1/b3-2+,14-8+;
InChIKeyXLQBFFJLAJTLNC-SLYWYDMJSA-M
MW275.78 g/mol
LogP-1.43
Rot. Bonds4

About potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate

potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate (PubChem CID 127035155) has the molecular formula C12H11ClKNO2 and a molecular weight of 275.78 g/mol. Its IUPAC name is potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate.

Molecular Properties

Compound Namepotassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate
PubChem CID127035155
Molecular FormulaC12H11ClKNO2
Molecular Weight275.78 g/mol
Exact Mass275.01
IUPAC Namepotassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate
SMILESCC(/N=C/C=C/c1ccc(Cl)cc1)C(=O)[O-].[K+]
InChIInChI=1S/C12H12ClNO2.K/c1-9(12(15)16)14-8-2-3-10-4-6-11(13)7-5-10;/h2-9H,1H3,(H,15,16);/q;+1/p-1/b3-2+,14-8+;
InChIKeyXLQBFFJLAJTLNC-SLYWYDMJSA-M
XLogP-1.43
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate 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 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate?
The IUPAC name of potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate (CID 127035155) is potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate.
What is the SMILES notation for potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate?
The canonical SMILES for potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate is CC(/N=C/C=C/c1ccc(Cl)cc1)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate?
The InChIKey is XLQBFFJLAJTLNC-SLYWYDMJSA-M. The full InChI is InChI=1S/C12H12ClNO2.K/c1-9(12(15)16)14-8-2-3-10-4-6-11(13)7-5-10;/h2-9H,1H3,(H,15,16);/q;+1/p-1/b3-2+,14-8+;.
What are the key properties of potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate?
potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate has a molecular weight of 275.78 g/mol, XLogP of -1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate is sourced from PubChem (CID 127035155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).