ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate

C13H15NO3 — CID 157457933

IUPACethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)Cc2c1ccnc2OC
InChIInChI=1S/C13H15NO3/c1-4-17-13(15)11-8(2)7-10-9(11)5-6-14-12(10)16-3/h5-6H,4,7H2,1-3H3
InChIKeyUWQPYYOJNFEYHR-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.98
Rot. Bonds3

About ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate

ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate (PubChem CID 157457933) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate
PubChem CID157457933
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)Cc2c1ccnc2OC
InChIInChI=1S/C13H15NO3/c1-4-17-13(15)11-8(2)7-10-9(11)5-6-14-12(10)16-3/h5-6H,4,7H2,1-3H3
InChIKeyUWQPYYOJNFEYHR-UHFFFAOYSA-N
XLogP1.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate (CID 157457933) is ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate is CCOC(=O)C1=C(C)Cc2c1ccnc2OC.
What is the InChIKey of ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate?
The InChIKey is UWQPYYOJNFEYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-17-13(15)11-8(2)7-10-9(11)5-6-14-12(10)16-3/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate?
ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methoxy-6-methyl-7H-cyclopenta[c]pyridine-5-carboxylate is sourced from PubChem (CID 157457933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).