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

C12H15NO2 — CID 115024064

IUPAC3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
SMILESCC(C)c1cc2c(cn1)CC(C(=O)O)C2
InChIInChI=1S/C12H15NO2/c1-7(2)11-5-8-3-9(12(14)15)4-10(8)6-13-11/h5-7,9H,3-4H2,1-2H3,(H,14,15)
InChIKeyOUTZDBUSJFEWLD-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.00
Rot. Bonds2

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

3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid (PubChem CID 115024064) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
PubChem CID115024064
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
SMILESCC(C)c1cc2c(cn1)CC(C(=O)O)C2
InChIInChI=1S/C12H15NO2/c1-7(2)11-5-8-3-9(12(14)15)4-10(8)6-13-11/h5-7,9H,3-4H2,1-2H3,(H,14,15)
InChIKeyOUTZDBUSJFEWLD-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 115030072
2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 66686629
2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid
CID 82410139
6-propan-2-yl-1,3-dihydrofuro[3,4-c]pyridine
CID 134456134
5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18545807
6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 58852290
2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423489
2-butan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423692
2-methyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 106742662
2-(3-methylbutyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423558
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690509
3-propan-2-yl-7,8-dihydro-6H-isoquinolin-5-one
CID 122697042

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
The IUPAC name of 3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid (CID 115024064) is 3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid is CC(C)c1cc2c(cn1)CC(C(=O)O)C2.
What is the InChIKey of 3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
The InChIKey is OUTZDBUSJFEWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7(2)11-5-8-3-9(12(14)15)4-10(8)6-13-11/h5-7,9H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid is sourced from PubChem (CID 115024064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).