ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate

C11H11NO3 — CID 102362498

IUPACethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate
SMILESCCOC(=O)C1Cc2ncccc2C1=O
InChIInChI=1S/C11H11NO3/c1-2-15-11(14)8-6-9-7(10(8)13)4-3-5-12-9/h3-5,8H,2,6H2,1H3
InChIKeyZVXZPBMNQFQOSR-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.00
Rot. Bonds2

About ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate

ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate (PubChem CID 102362498) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate
PubChem CID102362498
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Nameethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate
SMILESCCOC(=O)C1Cc2ncccc2C1=O
InChIInChI=1S/C11H11NO3/c1-2-15-11(14)8-6-9-7(10(8)13)4-3-5-12-9/h3-5,8H,2,6H2,1H3
InChIKeyZVXZPBMNQFQOSR-UHFFFAOYSA-N
XLogP1.00
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Pyridinepropanoic acid, beta-oxo-, methyl ester
CID 108645
Ethyl 3-oxo-3-(pyridin-3-yl)propanoate
CID 222197
5H,6H,7H-cyclopenta[b]pyridine-6-carboxylic acid
CID 15521501
Ethyl 3-oxo-3-(quinolin-3-yl)propanoate
CID 22925293
tert-Butyl 3-oxo-3-(pyridin-3-yl)propanoate
CID 22925074
methyl 7-oxo-5H,6H,7H-cyclopenta[c]pyridine-6-carboxylate
CID 49875403
Ethyl 3-(3-methylpyridin-2-yl)-3-oxopropanoate
CID 58975472
5H,6H,7H-cyclopenta[b]pyridine-6-carboxylic acid hydrochloride
CID 68562899
Methyl 3-(4-methylpyridin-2-yl)-3-oxopropanoate
CID 82656616
Ethyl 3-oxo-2-(2-(2-pyridinyl)ethyl)butanoate
CID 309265
Methyl 6-(trifluoromethyl)nicotinoylacetate
CID 2775648
Ethyl 2-(6-methylpyridin-3-yl)-2-oxoacetate
CID 14460503

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate?
The IUPAC name of ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate (CID 102362498) is ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate is CCOC(=O)C1Cc2ncccc2C1=O.
What is the InChIKey of ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate?
The InChIKey is ZVXZPBMNQFQOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-15-11(14)8-6-9-7(10(8)13)4-3-5-12-9/h3-5,8H,2,6H2,1H3.
What are the key properties of ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate?
ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-6,7-dihydrocyclopenta[b]pyridine-6-carboxylate is sourced from PubChem (CID 102362498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).