ethyl (2Z)-2-cyclopentyloxyiminoacetate

C9H15NO3 — CID 45091351

IUPACethyl (2Z)-2-cyclopentyloxyiminoacetate
SMILESCCOC(=O)/C=N\OC1CCCC1
InChIInChI=1S/C9H15NO3/c1-2-12-9(11)7-10-13-8-5-3-4-6-8/h7-8H,2-6H2,1H3/b10-7-
InChIKeyCDLRDARMEDGQCV-YFHOEESVSA-N
MW185.22 g/mol
LogP1.49
Rot. Bonds4

About ethyl (2Z)-2-cyclopentyloxyiminoacetate

ethyl (2Z)-2-cyclopentyloxyiminoacetate (PubChem CID 45091351) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl (2Z)-2-cyclopentyloxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-cyclopentyloxyiminoacetate
PubChem CID45091351
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl (2Z)-2-cyclopentyloxyiminoacetate
SMILESCCOC(=O)/C=N\OC1CCCC1
InChIInChI=1S/C9H15NO3/c1-2-12-9(11)7-10-13-8-5-3-4-6-8/h7-8H,2-6H2,1H3/b10-7-
InChIKeyCDLRDARMEDGQCV-YFHOEESVSA-N
XLogP1.49
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.49
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'}

Analyze ethyl (2Z)-2-cyclopentyloxyiminoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-cyclopentyloxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-cyclopentyloxyiminoacetate (CID 45091351) is ethyl (2Z)-2-cyclopentyloxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-cyclopentyloxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-cyclopentyloxyiminoacetate is CCOC(=O)/C=N\OC1CCCC1.
What is the InChIKey of ethyl (2Z)-2-cyclopentyloxyiminoacetate?
The InChIKey is CDLRDARMEDGQCV-YFHOEESVSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-12-9(11)7-10-13-8-5-3-4-6-8/h7-8H,2-6H2,1H3/b10-7-.
What are the key properties of ethyl (2Z)-2-cyclopentyloxyiminoacetate?
ethyl (2Z)-2-cyclopentyloxyiminoacetate has a molecular weight of 185.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-cyclopentyloxyiminoacetate is sourced from PubChem (CID 45091351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).