cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate

C16H19Cl2NO3 — CID 75083508

IUPACcyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
SMILESCON=C(CCC(=O)OC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2NO3/c1-21-19-15(11-6-7-13(17)14(18)10-11)8-9-16(20)22-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyAQIMYHBGARIDPQ-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.61
Rot. Bonds6

About cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate

cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate (PubChem CID 75083508) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate.

Molecular Properties

Compound Namecyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
PubChem CID75083508
Molecular FormulaC16H19Cl2NO3
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Namecyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
SMILESCON=C(CCC(=O)OC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2NO3/c1-21-19-15(11-6-7-13(17)14(18)10-11)8-9-16(20)22-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyAQIMYHBGARIDPQ-UHFFFAOYSA-N
XLogP4.61
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
cyclohexyl (4E)-4-(4-chlorophenyl)-4-(methylhydrazinylidene)butanoate
CID 172973333
(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide
CID 45101407
2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]ethyl (4E)-4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
CID 143930178
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
CID 58436870
(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
CID 87388083
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
CID 75083635
4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
CID 75083596
4-(3-chloro-4-ethylphenyl)-4-methoxyiminobutanoic acid
CID 90932224
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(6-methyl-3-pyridinyl)pentan-2-one
CID 58436814
(5E)-5-(3,4-dichlorophenyl)-1-(2,4-dimethyl-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 58436802

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate?
The IUPAC name of cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate (CID 75083508) is cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate.
What is the SMILES notation for cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate?
The canonical SMILES for cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate is CON=C(CCC(=O)OC1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate?
The InChIKey is AQIMYHBGARIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c1-21-19-15(11-6-7-13(17)14(18)10-11)8-9-16(20)22-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3.
What are the key properties of cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate?
cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate has a molecular weight of 344.24 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate is sourced from PubChem (CID 75083508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).