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

C11H9ClKNO2 — CID 127037047

IUPACpotassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate
SMILESO=C([O-])C/N=C/C=C/c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C11H10ClNO2.K/c12-10-5-3-9(4-6-10)2-1-7-13-8-11(14)15;/h1-7H,8H2,(H,14,15);/q;+1/p-1/b2-1+,13-7+;
InChIKeyBSWZKLYPABNBHF-UZKWSNBCSA-M
MW261.75 g/mol
LogP-1.82
Rot. Bonds4

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

potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate (PubChem CID 127037047) has the molecular formula C11H9ClKNO2 and a molecular weight of 261.75 g/mol. Its IUPAC name is potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate.

Molecular Properties

Compound Namepotassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate
PubChem CID127037047
Molecular FormulaC11H9ClKNO2
Molecular Weight261.75 g/mol
Exact Mass261.00
IUPAC Namepotassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate
SMILESO=C([O-])C/N=C/C=C/c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C11H10ClNO2.K/c12-10-5-3-9(4-6-10)2-1-7-13-8-11(14)15;/h1-7H,8H2,(H,14,15);/q;+1/p-1/b2-1+,13-7+;
InChIKeyBSWZKLYPABNBHF-UZKWSNBCSA-M
XLogP-1.82
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-tert-Butyl 4-chlorobenzylidenecarbamate
CID 11160790
potassium 2-[[(E)-3-phenylprop-2-enylidene]amino]acetate
CID 101963493
potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]propanoate
CID 127035155
dipotassium;(2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]butanedioate
CID 127036178
potassium (2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]-4-methylpentanoate
CID 127036237
potassium (2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]-3-methylbutanoate
CID 127036368
dipotassium;(2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]pentanedioate
CID 127037046
Tert-butyl 4-chlorobenzylidenecarbamate
CID 67125972
tert-butyl (2S)-2-[(4-chlorophenyl)methylideneamino]propanoate
CID 10956502
tert-Butyl 2-((4-chlorobenzylidene)amino)propanoate
CID 10989252
Methyl 2-[(4-chlorophenyl)methylideneamino]acetate
CID 11020193
N-(4-chlorophenyl)methylene-DL-alanine methyl ester
CID 11172159

Frequently Asked Questions

What is the IUPAC name of potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate?
The IUPAC name of potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate (CID 127037047) is potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate.
What is the SMILES notation for potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate?
The canonical SMILES for potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate is O=C([O-])C/N=C/C=C/c1ccc(Cl)cc1.[K+].
What is the InChIKey of potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate?
The InChIKey is BSWZKLYPABNBHF-UZKWSNBCSA-M. The full InChI is InChI=1S/C11H10ClNO2.K/c12-10-5-3-9(4-6-10)2-1-7-13-8-11(14)15;/h1-7H,8H2,(H,14,15);/q;+1/p-1/b2-1+,13-7+;.
What are the key properties of potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate?
potassium 2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]acetate has a molecular weight of 261.75 g/mol, XLogP of -1.82, 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]acetate is sourced from PubChem (CID 127037047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).