(4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid

C11H12ClNO3 — CID 44622472

IUPAC(4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid
SMILESCO/N=C(/CCC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO3/c1-16-13-10(5-6-11(14)15)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3,(H,14,15)/b13-10-
InChIKeyYHZNMURUYOCIIH-RAXLEYEMSA-N
MW241.67 g/mol
LogP2.56
Rot. Bonds5

About (4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid

(4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid (PubChem CID 44622472) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid.

Molecular Properties

Compound Name(4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid
PubChem CID44622472
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid
SMILESCO/N=C(/CCC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO3/c1-16-13-10(5-6-11(14)15)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3,(H,14,15)/b13-10-
InChIKeyYHZNMURUYOCIIH-RAXLEYEMSA-N
XLogP2.56
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-2-methoxyiminoethanol
CID 54343986
(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
CID 87388083
ethane;methyl (5E)-2-[(2-amino-3,3-dimethylbutanoyl)-ethylamino]-5-(3-chlorophenyl)-5-methoxyiminopentanoate
CID 143418676
(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine
CID 89317369
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
methyl 3-chlorobenzenecarboperoxoate
CID 118256511
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
4-bromo-5-(3-chlorophenyl)-5-oxopentanoic acid
CID 10357765
iodo 3-chlorobenzoate
CID 148549555
3-[(3-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325352
(Z)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-N-methoxyethanimine
CID 20850456
diethyl 2-[(3-chlorophenyl)-phenylmethylidene]propanedioate
CID 11462500

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid?
The IUPAC name of (4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid (CID 44622472) is (4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid.
What is the SMILES notation for (4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid?
The canonical SMILES for (4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid is CO/N=C(/CCC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of (4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid?
The InChIKey is YHZNMURUYOCIIH-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-16-13-10(5-6-11(14)15)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3,(H,14,15)/b13-10-.
What are the key properties of (4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid?
(4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid has a molecular weight of 241.67 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid is sourced from PubChem (CID 44622472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).