ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate

C15H17NO4 — CID 23631348

IUPACethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(CC(=O)c2ccncc2)CCCC1=O
InChIInChI=1S/C15H17NO4/c1-2-20-14(19)15(7-3-4-13(15)18)10-12(17)11-5-8-16-9-6-11/h5-6,8-9H,2-4,7,10H2,1H3
InChIKeyXYPRKTOUFQKSJL-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.96
Rot. Bonds5

About ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate

ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate (PubChem CID 23631348) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate
PubChem CID23631348
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(CC(=O)c2ccncc2)CCCC1=O
InChIInChI=1S/C15H17NO4/c1-2-20-14(19)15(7-3-4-13(15)18)10-12(17)11-5-8-16-9-6-11/h5-6,8-9H,2-4,7,10H2,1H3
InChIKeyXYPRKTOUFQKSJL-UHFFFAOYSA-N
XLogP1.96
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-(2-chlorophenyl)-2-oxoethyl]-2-oxocyclopentane-1-carboxylate
CID 23631347
2-[(1S)-1-ethoxycarbonyl-2-oxocyclopentyl]acetic acid
CID 3246182
ethyl 2-oxo-1-(2-phenylselanylprop-2-enyl)cyclopentane-1-carboxylate
CID 10617904
ethyl 1-ethyl-2-oxocyclododecane-1-carboxylate
CID 12013534
ethyl 1-ethyl-2-oxocycloheptane-1-carboxylate
CID 15074127
ethyl 1-octyl-2-oxocyclopentane-1-carboxylate
CID 14921673
ethyl 1-[(4-ethylphenyl)methyl]-2-oxocyclohexane-1-carboxylate
CID 103574804
ethyl 1-benzyl-2-oxocyclohexane-1-carboxylate
CID 10445323
ethyl 1-(bromomethyl)-2-oxocyclododecane-1-carboxylate
CID 14667295
ethyl (1R)-1-(2,3-dihydroxypropyl)-2-oxocyclopentane-1-carboxylate
CID 170615998
ethyl (1R)-2-oxo-1-[(2R)-3-oxo-2-phenylbutyl]cyclopentane-1-carboxylate
CID 10804320
ethyl 1-[(E)-4-(1-ethoxycarbonyl-2-oxocycloheptyl)but-2-enyl]-2-oxocycloheptane-1-carboxylate
CID 11154373

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate (CID 23631348) is ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate is CCOC(=O)C1(CC(=O)c2ccncc2)CCCC1=O.
What is the InChIKey of ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate?
The InChIKey is XYPRKTOUFQKSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-20-14(19)15(7-3-4-13(15)18)10-12(17)11-5-8-16-9-6-11/h5-6,8-9H,2-4,7,10H2,1H3.
What are the key properties of ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate?
ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1-(2-oxo-2-pyridin-4-ylethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 23631348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).