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

C14H17NO2 — CID 116533735

IUPAC2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESCC1(C)CCc2cc(C(=O)O)c(C3CC3)nc21
InChIInChI=1S/C14H17NO2/c1-14(2)6-5-9-7-10(13(16)17)11(8-3-4-8)15-12(9)14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyURTVOXMSDIGOLD-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.88
Rot. Bonds2

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

2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 116533735) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
PubChem CID116533735
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
SMILESCC1(C)CCc2cc(C(=O)O)c(C3CC3)nc21
InChIInChI=1S/C14H17NO2/c1-14(2)6-5-9-7-10(13(16)17)11(8-3-4-8)15-12(9)14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyURTVOXMSDIGOLD-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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
7,7-dimethyl-2-propyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533293
2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 116533753
2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533718
2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid
CID 116533648
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
7-chloro-2-cyclopropyl-5H-indeno[1,2-b]pyridine-3-carboxylic acid
CID 116533738
2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid
CID 116533758
2-cyclopropyl-6-methyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid
CID 116533757
2-cyclopentyl-5,7-dihydrothieno[3,4-b]pyridine-3-carboxylic acid
CID 82383001
2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 116533689
2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid
CID 114280073

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid (CID 116533735) is 2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid is CC1(C)CCc2cc(C(=O)O)c(C3CC3)nc21.
What is the InChIKey of 2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is URTVOXMSDIGOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2)6-5-9-7-10(13(16)17)11(8-3-4-8)15-12(9)14/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid?
2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 116533735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).