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

C12H15NO2 — CID 116533417

IUPAC2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C12H15NO2/c1-7(2)11-9(12(14)15)6-8-4-3-5-10(8)13-11/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyIVVQFWDVZOCHGX-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.39
Rot. Bonds2

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

2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 116533417) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID116533417
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C12H15NO2/c1-7(2)11-9(12(14)15)6-8-4-3-5-10(8)13-11/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyIVVQFWDVZOCHGX-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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Related Compounds

2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 84684770
6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid
CID 116533530
2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702838
2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701660
2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 5149881
2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703356
2-[2-methylpropyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703046
2-(3-methylbutan-2-ylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 107757944
2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55107666
7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533513
2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103191853
2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103285851

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 116533417) is 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CC(C)c1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is IVVQFWDVZOCHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7(2)11-9(12(14)15)6-8-4-3-5-10(8)13-11/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-propan-2-yl-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-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 116533417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).