2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid

C14H17NO2 — CID 81008553

IUPAC2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C1CCc2cccnc21
InChIInChI=1S/C14H17NO2/c16-14(17)12-5-1-4-10(12)11-7-6-9-3-2-8-15-13(9)11/h2-3,8,10-12H,1,4-7H2,(H,16,17)
InChIKeyBQJFUULLIVYIAN-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.61
Rot. Bonds2

About 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid

2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid (PubChem CID 81008553) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid
PubChem CID81008553
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C1CCc2cccnc21
InChIInChI=1S/C14H17NO2/c16-14(17)12-5-1-4-10(12)11-7-6-9-3-2-8-15-13(9)11/h2-3,8,10-12H,1,4-7H2,(H,16,17)
InChIKeyBQJFUULLIVYIAN-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid
CID 81008870
7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79748412
1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
CID 69102242
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetic acid
CID 79740284
6-bicyclo[3.1.0]hexanyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 115819421
7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79738397
2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one
CID 79739041
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one
CID 79738183
2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid
CID 114054225
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one
CID 164650840
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid (CID 81008553) is 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C1CCc2cccnc21.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid?
The InChIKey is BQJFUULLIVYIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)12-5-1-4-10(12)11-7-6-9-3-2-8-15-13(9)11/h2-3,8,10-12H,1,4-7H2,(H,16,17).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid?
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81008553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).