2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C12H15NO2 — CID 116533007

IUPAC2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCc1nc2c(cc1C(=O)O)CCC2C
InChIInChI=1S/C12H15NO2/c1-3-10-9(12(14)15)6-8-5-4-7(2)11(8)13-10/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyUBGHDBZTSDDTTK-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.39
Rot. Bonds2

About 2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 116533007) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID116533007
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCc1nc2c(cc1C(=O)O)CCC2C
InChIInChI=1S/C12H15NO2/c1-3-10-9(12(14)15)6-8-5-4-7(2)11(8)13-10/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyUBGHDBZTSDDTTK-UHFFFAOYSA-N
XLogP2.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 116533007) is 2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CCc1nc2c(cc1C(=O)O)CCC2C.
What is the InChIKey of 2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is UBGHDBZTSDDTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-10-9(12(14)15)6-8-5-4-7(2)11(8)13-10/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 116533007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).