3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid

C13H15NO2 — CID 115030072

IUPAC3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2cnc(C3CCC3)cc2C1
InChIInChI=1S/C13H15NO2/c15-13(16)10-4-9-6-12(8-2-1-3-8)14-7-11(9)5-10/h6-8,10H,1-5H2,(H,15,16)
InChIKeyFTUJFAZCPXLIGE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.15
Rot. Bonds2

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

3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid (PubChem CID 115030072) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
PubChem CID115030072
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2cnc(C3CCC3)cc2C1
InChIInChI=1S/C13H15NO2/c15-13(16)10-4-9-6-12(8-2-1-3-8)14-7-11(9)5-10/h6-8,10H,1-5H2,(H,15,16)
InChIKeyFTUJFAZCPXLIGE-UHFFFAOYSA-N
XLogP2.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine
CID 115017606
4-isoquinolin-3-ylcycloheptane-1-carboxylic acid
CID 139695403
3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 115024064
methyl 3-cyclopropyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-7-carboxylate
CID 156536133
3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine
CID 115049588
3-[(5-cyclobutylpyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 116975340
6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 58852290
2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid
CID 82410139
5-cyclopentylpyrazine-2-carboxylic acid
CID 135241231
1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 116976080
1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone
CID 137437717
2-(3-ethylcyclohexyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81424540

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
The IUPAC name of 3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid (CID 115030072) is 3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid is O=C(O)C1Cc2cnc(C3CCC3)cc2C1.
What is the InChIKey of 3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
The InChIKey is FTUJFAZCPXLIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(16)10-4-9-6-12(8-2-1-3-8)14-7-11(9)5-10/h6-8,10H,1-5H2,(H,15,16).
What are the key properties of 3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid?
3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid is sourced from PubChem (CID 115030072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).