(1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride

C7H10ClNO2 — CID 12007726

IUPAC(1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride
SMILESO=C1CCCC1C/C(Cl)=N/O
InChIInChI=1S/C7H10ClNO2/c8-7(9-11)4-5-2-1-3-6(5)10/h5,11H,1-4H2/b9-7-
InChIKeyQSZUEQOSQOSIGA-CLFYSBASSA-N
MW175.61 g/mol
LogP1.77
Rot. Bonds2

About (1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride

(1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride (PubChem CID 12007726) has the molecular formula C7H10ClNO2 and a molecular weight of 175.61 g/mol. Its IUPAC name is (1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride
PubChem CID12007726
Molecular FormulaC7H10ClNO2
Molecular Weight175.61 g/mol
Exact Mass175.04
IUPAC Name(1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride
SMILESO=C1CCCC1C/C(Cl)=N/O
InChIInChI=1S/C7H10ClNO2/c8-7(9-11)4-5-2-1-3-6(5)10/h5,11H,1-4H2/b9-7-
InChIKeyQSZUEQOSQOSIGA-CLFYSBASSA-N
XLogP1.77
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride (CID 12007726) is (1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride is O=C1CCCC1C/C(Cl)=N/O.
What is the InChIKey of (1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride?
The InChIKey is QSZUEQOSQOSIGA-CLFYSBASSA-N. The full InChI is InChI=1S/C7H10ClNO2/c8-7(9-11)4-5-2-1-3-6(5)10/h5,11H,1-4H2/b9-7-.
What are the key properties of (1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride?
(1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride has a molecular weight of 175.61 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxy-2-(2-oxocyclopentyl)ethanimidoyl chloride is sourced from PubChem (CID 12007726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).