5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid

C18H23NO2 — CID 143824375

IUPAC5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid
SMILESO=C(O)C(CCCC1=CCCC=C1)CCc1ccccn1
InChIInChI=1S/C18H23NO2/c20-18(21)16(12-13-17-11-4-5-14-19-17)10-6-9-15-7-2-1-3-8-15/h2,4-5,7-8,11,14,16H,1,3,6,9-10,12-13H2,(H,20,21)
InChIKeyZENJTQMMJLUDAH-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.16
Rot. Bonds8

About 5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid

5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid (PubChem CID 143824375) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid
PubChem CID143824375
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid
SMILESO=C(O)C(CCCC1=CCCC=C1)CCc1ccccn1
InChIInChI=1S/C18H23NO2/c20-18(21)16(12-13-17-11-4-5-14-19-17)10-6-9-15-7-2-1-3-8-15/h2,4-5,7-8,11,14,16H,1,3,6,9-10,12-13H2,(H,20,21)
InChIKeyZENJTQMMJLUDAH-UHFFFAOYSA-N
XLogP4.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
2-[(2-chlorophenyl)methyl]-4-pyridin-2-ylbutanoic acid
CID 79418089
2-hydroxy-7-pyridin-2-ylheptanoic acid
CID 175122940
2-amino-4-pyridin-2-ylbutanamide
CID 64990711
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
3-amino-5-pyridin-2-ylpentanamide
CID 154265454
4-pyridin-2-ylbutane-1,1-dithiol
CID 175139494
2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid
CID 81223611
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 11161308

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid (CID 143824375) is 5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid is O=C(O)C(CCCC1=CCCC=C1)CCc1ccccn1.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid?
The InChIKey is ZENJTQMMJLUDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-18(21)16(12-13-17-11-4-5-14-19-17)10-6-9-15-7-2-1-3-8-15/h2,4-5,7-8,11,14,16H,1,3,6,9-10,12-13H2,(H,20,21).
What are the key properties of 5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid?
5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yl-2-(2-pyridin-2-ylethyl)pentanoic acid is sourced from PubChem (CID 143824375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).