2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid

C14H16ClNO3 — CID 57137634

IUPAC2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid
SMILESCC1(ON=C(C(=O)O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H16ClNO3/c1-14(8-2-3-9-14)19-16-12(13(17)18)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyJPOZBYICYGUOAN-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.48
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid

2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid (PubChem CID 57137634) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid
PubChem CID57137634
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid
SMILESCC1(ON=C(C(=O)O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H16ClNO3/c1-14(8-2-3-9-14)19-16-12(13(17)18)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyJPOZBYICYGUOAN-UHFFFAOYSA-N
XLogP3.48
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid (CID 57137634) is 2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid is CC1(ON=C(C(=O)O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid?
The InChIKey is JPOZBYICYGUOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-14(8-2-3-9-14)19-16-12(13(17)18)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid?
2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid has a molecular weight of 281.74 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid is sourced from PubChem (CID 57137634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).