7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid

C14H19NO2 — CID 116533293

IUPAC7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESCCCc1nc2c(cc1C(=O)O)CCC2(C)C
InChIInChI=1S/C14H19NO2/c1-4-5-11-10(13(16)17)8-9-6-7-14(2,3)12(9)15-11/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyZWPVBQWIVKBGKV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.96
Rot. Bonds3

About 7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid

7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 116533293) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
PubChem CID116533293
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESCCCc1nc2c(cc1C(=O)O)CCC2(C)C
InChIInChI=1S/C14H19NO2/c1-4-5-11-10(13(16)17)8-9-6-7-14(2,3)12(9)15-11/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyZWPVBQWIVKBGKV-UHFFFAOYSA-N
XLogP2.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533513
2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533735
6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116533203
2-butyl-4-propylpyrimidine-5-carboxylic acid
CID 79412122
2-(1-phenylcyclopropyl)-4-propylpyrimidine-5-carboxylic acid
CID 63080465
2-chloro-8,8-dimethyl-6,7-dihydro-5H-quinoline-3-carbonitrile;2-chloro-8,8-dimethyl-6,7-dihydro-5H-quinoline-3-carboxylic acid
CID 167670982
2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid
CID 107918025
1-methyl-2-oxo-4-propylpyrimidine-5-carboxylic acid
CID 116851742
6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533201
5-(4-fluorophenyl)-6-methyl-2-propylpyridine-3-carboxylic acid
CID 114834320
2-ethyl-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533007
6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid (CID 116533293) is 7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid is CCCc1nc2c(cc1C(=O)O)CCC2(C)C.
What is the InChIKey of 7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is ZWPVBQWIVKBGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-5-11-10(13(16)17)8-9-6-7-14(2,3)12(9)15-11/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 116533293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).