ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate

C9H15NO3 — CID 6393794

IUPACethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate
SMILESCCOC(=O)CC1CCC/C1=N/O
InChIInChI=1S/C9H15NO3/c1-2-13-9(11)6-7-4-3-5-8(7)10-12/h7,12H,2-6H2,1H3/b10-8-
InChIKeyRWIXTKZVZZNCCU-NTMALXAHSA-N
MW185.22 g/mol
LogP1.57
Rot. Bonds3

About ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate

ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate (PubChem CID 6393794) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate
PubChem CID6393794
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate
SMILESCCOC(=O)CC1CCC/C1=N/O
InChIInChI=1S/C9H15NO3/c1-2-13-9(11)6-7-4-3-5-8(7)10-12/h7,12H,2-6H2,1H3/b10-8-
InChIKeyRWIXTKZVZZNCCU-NTMALXAHSA-N
XLogP1.57
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

methyl (3E)-2-hexyl-3-(hydroxyimino)cyclopentanecarboxylate
CID 5883366
3-(3-Methylbutyl)-4,5-dihydro-1,2-oxazol-5-one
CID 137648546
Methyl 2-hexyl-3-hydroxyiminocyclopentane-1-carboxylate
CID 659645
(Z)-methyl 3-(2-(hydroxyimino)cyclohexyl)propanoate
CID 5721347
methyl (3Z)-2-hexyl-3-hydroxyiminocyclopentane-1-carboxylate
CID 6364849
methyl {(3E)-3-[(acetyloxy)imino]-2-pentylcyclopentyl}acetate
CID 9657404
Cyclohexanecarboxylic acid, 4-(hydroxyimino)-, ethyl ester
CID 11593553
Ethyl 4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-3-carboxylate
CID 10997693
methyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
CID 13611516
diethyl 2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate
CID 146163911
methyl 2-[(3E)-3-hydroxyimino-2-pentylcyclopentyl]acetate
CID 5756438
Methyl 2-(hydroxyimino)bicyclo[2.1.1]hexane-5-carboxylate
CID 9562410

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate?
The IUPAC name of ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate (CID 6393794) is ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate is CCOC(=O)CC1CCC/C1=N/O.
What is the InChIKey of ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate?
The InChIKey is RWIXTKZVZZNCCU-NTMALXAHSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-13-9(11)6-7-4-3-5-8(7)10-12/h7,12H,2-6H2,1H3/b10-8-.
What are the key properties of ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate?
ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate has a molecular weight of 185.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2Z)-2-hydroxyiminocyclopentyl]acetate is sourced from PubChem (CID 6393794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).