2-pyridin-4-ylcyclopentene-1-carboxylic acid

C11H11NO2 — CID 127020464

IUPAC2-pyridin-4-ylcyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(c2ccncc2)CCC1
InChIInChI=1S/C11H11NO2/c13-11(14)10-3-1-2-9(10)8-4-6-12-7-5-8/h4-7H,1-3H2,(H,13,14)
InChIKeyNTRSIRKNEUPTKN-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.10
Rot. Bonds2

About 2-pyridin-4-ylcyclopentene-1-carboxylic acid

2-pyridin-4-ylcyclopentene-1-carboxylic acid (PubChem CID 127020464) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-pyridin-4-ylcyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-4-ylcyclopentene-1-carboxylic acid
PubChem CID127020464
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-pyridin-4-ylcyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(c2ccncc2)CCC1
InChIInChI=1S/C11H11NO2/c13-11(14)10-3-1-2-9(10)8-4-6-12-7-5-8/h4-7H,1-3H2,(H,13,14)
InChIKeyNTRSIRKNEUPTKN-UHFFFAOYSA-N
XLogP2.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylcyclopentene-1-carboxylic acid?
The IUPAC name of 2-pyridin-4-ylcyclopentene-1-carboxylic acid (CID 127020464) is 2-pyridin-4-ylcyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-pyridin-4-ylcyclopentene-1-carboxylic acid?
The canonical SMILES for 2-pyridin-4-ylcyclopentene-1-carboxylic acid is O=C(O)C1=C(c2ccncc2)CCC1.
What is the InChIKey of 2-pyridin-4-ylcyclopentene-1-carboxylic acid?
The InChIKey is NTRSIRKNEUPTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11(14)10-3-1-2-9(10)8-4-6-12-7-5-8/h4-7H,1-3H2,(H,13,14).
What are the key properties of 2-pyridin-4-ylcyclopentene-1-carboxylic acid?
2-pyridin-4-ylcyclopentene-1-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylcyclopentene-1-carboxylic acid is sourced from PubChem (CID 127020464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).