methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate

C10H9NO3 — CID 131359902

IUPACmethyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)C(=O)CC2
InChIInChI=1S/C10H9NO3/c1-14-10(13)7-4-2-6-3-5-8(12)9(6)11-7/h2,4H,3,5H2,1H3
InChIKeyWLSOCUNOYXQMHU-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.00
Rot. Bonds1

About methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate

methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate (PubChem CID 131359902) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate
PubChem CID131359902
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)C(=O)CC2
InChIInChI=1S/C10H9NO3/c1-14-10(13)7-4-2-6-3-5-8(12)9(6)11-7/h2,4H,3,5H2,1H3
InChIKeyWLSOCUNOYXQMHU-UHFFFAOYSA-N
XLogP1.00
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate?
The IUPAC name of methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate (CID 131359902) is methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate?
The canonical SMILES for methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate is COC(=O)c1ccc2c(n1)C(=O)CC2.
What is the InChIKey of methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate?
The InChIKey is WLSOCUNOYXQMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-10(13)7-4-2-6-3-5-8(12)9(6)11-7/h2,4H,3,5H2,1H3.
What are the key properties of methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate?
methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate is sourced from PubChem (CID 131359902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).