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

C14H17NO2 — CID 116533718

IUPAC2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCC1CCc2cc(C(=O)O)c(C3CC3)nc21
InChIInChI=1S/C14H17NO2/c1-2-8-3-6-10-7-11(14(16)17)13(9-4-5-9)15-12(8)10/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyFHQJSYDMSRPIEU-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.10
Rot. Bonds3

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

2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 116533718) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID116533718
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCC1CCc2cc(C(=O)O)c(C3CC3)nc21
InChIInChI=1S/C14H17NO2/c1-2-8-3-6-10-7-11(14(16)17)13(9-4-5-9)15-12(8)10/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyFHQJSYDMSRPIEU-UHFFFAOYSA-N
XLogP3.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 116533718) is 2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CCC1CCc2cc(C(=O)O)c(C3CC3)nc21.
What is the InChIKey of 2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is FHQJSYDMSRPIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-8-3-6-10-7-11(14(16)17)13(9-4-5-9)15-12(8)10/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 116533718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).