ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate

C15H23NO3 — CID 88793511

IUPACethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate
SMILESCCCCC=C(C(=O)OCC)C1=CCCC1=NOC
InChIInChI=1S/C15H23NO3/c1-4-6-7-9-13(15(17)19-5-2)12-10-8-11-14(12)16-18-3/h9-10H,4-8,11H2,1-3H3
InChIKeySDUKMKOSVMUWAV-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.39
Rot. Bonds7

About ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate

ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate (PubChem CID 88793511) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate.

Molecular Properties

Compound Nameethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate
PubChem CID88793511
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate
SMILESCCCCC=C(C(=O)OCC)C1=CCCC1=NOC
InChIInChI=1S/C15H23NO3/c1-4-6-7-9-13(15(17)19-5-2)12-10-8-11-14(12)16-18-3/h9-10H,4-8,11H2,1-3H3
InChIKeySDUKMKOSVMUWAV-UHFFFAOYSA-N
XLogP3.39
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate 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 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate?
The IUPAC name of ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate (CID 88793511) is ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate.
What is the SMILES notation for ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate?
The canonical SMILES for ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate is CCCCC=C(C(=O)OCC)C1=CCCC1=NOC.
What is the InChIKey of ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate?
The InChIKey is SDUKMKOSVMUWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-7-9-13(15(17)19-5-2)12-10-8-11-14(12)16-18-3/h9-10H,4-8,11H2,1-3H3.
What are the key properties of ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate?
ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate has a molecular weight of 265.35 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methoxyiminocyclopenten-1-yl)hept-2-enoate is sourced from PubChem (CID 88793511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).