1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid

C11H11NO2 — CID 79006712

IUPAC1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid
SMILESO=C(O)C1(c2cccnc2)CC=CC1
InChIInChI=1S/C11H11NO2/c13-10(14)11(5-1-2-6-11)9-4-3-7-12-8-9/h1-4,7-8H,5-6H2,(H,13,14)
InChIKeyHXDNOQZSGPRBDS-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.75
Rot. Bonds2

About 1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid

1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid (PubChem CID 79006712) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid
PubChem CID79006712
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid
SMILESO=C(O)C1(c2cccnc2)CC=CC1
InChIInChI=1S/C11H11NO2/c13-10(14)11(5-1-2-6-11)9-4-3-7-12-8-9/h1-4,7-8H,5-6H2,(H,13,14)
InChIKeyHXDNOQZSGPRBDS-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid (CID 79006712) is 1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid is O=C(O)C1(c2cccnc2)CC=CC1.
What is the InChIKey of 1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid?
The InChIKey is HXDNOQZSGPRBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-10(14)11(5-1-2-6-11)9-4-3-7-12-8-9/h1-4,7-8H,5-6H2,(H,13,14).
What are the key properties of 1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid?
1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 79006712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).