ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate

C17H20O3Se — CID 10617904

IUPACethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate
SMILESC=C(CC1(C(=O)OCC)CCCC1=O)[Se]c1ccccc1
InChIInChI=1S/C17H20O3Se/c1-3-20-16(19)17(11-7-10-15(17)18)12-13(2)21-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKeyKGUVOPUHBDKRSK-UHFFFAOYSA-N
MW351.30 g/mol
LogP2.22
Rot. Bonds6

About ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate

ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate (PubChem CID 10617904) has the molecular formula C17H20O3Se and a molecular weight of 351.30 g/mol. Its IUPAC name is ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate
PubChem CID10617904
Molecular FormulaC17H20O3Se
Molecular Weight351.30 g/mol
Exact Mass352.06
IUPAC Nameethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate
SMILESC=C(CC1(C(=O)OCC)CCCC1=O)[Se]c1ccccc1
InChIInChI=1S/C17H20O3Se/c1-3-20-16(19)17(11-7-10-15(17)18)12-13(2)21-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKeyKGUVOPUHBDKRSK-UHFFFAOYSA-N
XLogP2.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-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

2-[(1S)-1-ethoxycarbonyl-2-oxocyclopentyl]acetic acid
CID 3246182
ethyl 1-[2-(2-chlorophenyl)-2-oxoethyl]-2-oxocyclopentane-1-carboxylate
CID 23631347
ethyl 1-benzyl-2-oxocyclohexane-1-carboxylate
CID 10445323
ethyl (1R)-2-oxo-1-[(2R)-3-oxo-2-phenylbutyl]cyclopentane-1-carboxylate
CID 10804320
ethyl 1-(3-azido-2-phenylselanylpropyl)-2-oxocyclopentane-1-carboxylate
CID 14963536
ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate
CID 23631348
ethyl 2-oxo-1-(2-phenylsulfanylethyl)cyclohexane-1-carboxylate
CID 103574697
ethyl 1-ethyl-2-oxocycloheptane-1-carboxylate
CID 15074127
ethyl 1-ethyl-2-oxocyclododecane-1-carboxylate
CID 12013534
ethyl 1-octyl-2-oxocyclopentane-1-carboxylate
CID 14921673
ethyl 1-[(4-ethylphenyl)methyl]-2-oxocyclohexane-1-carboxylate
CID 103574804
ethyl (1S)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 155818705

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate (CID 10617904) is ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate is C=C(CC1(C(=O)OCC)CCCC1=O)[Se]c1ccccc1.
What is the InChIKey of ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate?
The InChIKey is KGUVOPUHBDKRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3Se/c1-3-20-16(19)17(11-7-10-15(17)18)12-13(2)21-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-12H2,1H3.
What are the key properties of ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate?
ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate has a molecular weight of 351.30 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 10617904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).