ethyl 2-methoxyiminocyclopentane-1-carboxylate

C9H15NO3 — CID 86168958

IUPACethyl 2-methoxyiminocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1=NOC
InChIInChI=1S/C9H15NO3/c1-3-13-9(11)7-5-4-6-8(7)10-12-2/h7H,3-6H2,1-2H3
InChIKeyPTMRWHGMLRDCMO-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.35
Rot. Bonds3

About ethyl 2-methoxyiminocyclopentane-1-carboxylate

ethyl 2-methoxyiminocyclopentane-1-carboxylate (PubChem CID 86168958) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 2-methoxyiminocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxyiminocyclopentane-1-carboxylate
PubChem CID86168958
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 2-methoxyiminocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1=NOC
InChIInChI=1S/C9H15NO3/c1-3-13-9(11)7-5-4-6-8(7)10-12-2/h7H,3-6H2,1-2H3
InChIKeyPTMRWHGMLRDCMO-UHFFFAOYSA-N
XLogP1.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.35
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 2-methoxyiminocyclopentane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Cyclohexanecarboxylic acid, 4-(hydroxyimino)-, ethyl ester
CID 11593553
ethyl (4S)-3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 353804
Ethyl [2-(hydroxyimino)cyclopentyl]acetate
CID 6393794
3-Acetyl hexanedioic acid, methyl ester, methoxime, anti
CID 91749502
Ethyl 2-methyliminocyclopentane-1-carboxylate
CID 12399146
methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate
CID 15297219
Ethyl 2-iminocyclopentanecarboxylate
CID 23344256
Ethyl 2-ethanimidoylhexanoate
CID 54524706
Ethyl 2-ethanimidoylcyclopropane-1-carboxylate
CID 57312649
Ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 59618647
ethyl (3E)-2-ethyl-3-hydroxyiminohexanoate
CID 59873623
ethyl 2-(3-methyl-5-propan-2-yl-4H-pyrazol-4-yl)acetate
CID 71185353

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxyiminocyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-methoxyiminocyclopentane-1-carboxylate (CID 86168958) is ethyl 2-methoxyiminocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-methoxyiminocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-methoxyiminocyclopentane-1-carboxylate is CCOC(=O)C1CCCC1=NOC.
What is the InChIKey of ethyl 2-methoxyiminocyclopentane-1-carboxylate?
The InChIKey is PTMRWHGMLRDCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-9(11)7-5-4-6-8(7)10-12-2/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 2-methoxyiminocyclopentane-1-carboxylate?
ethyl 2-methoxyiminocyclopentane-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxyiminocyclopentane-1-carboxylate is sourced from PubChem (CID 86168958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).