5-formylcyclopentene-1-carboxylic acid

C7H8O3 — CID 57195870

IUPAC5-formylcyclopentene-1-carboxylic acid
SMILESO=CC1CCC=C1C(=O)O
InChIInChI=1S/C7H8O3/c8-4-5-2-1-3-6(5)7(9)10/h3-5H,1-2H2,(H,9,10)
InChIKeyGEKRXGQNMGXXBJ-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.61
Rot. Bonds2

About 5-formylcyclopentene-1-carboxylic acid

5-formylcyclopentene-1-carboxylic acid (PubChem CID 57195870) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-formylcyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name5-formylcyclopentene-1-carboxylic acid
PubChem CID57195870
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name5-formylcyclopentene-1-carboxylic acid
SMILESO=CC1CCC=C1C(=O)O
InChIInChI=1S/C7H8O3/c8-4-5-2-1-3-6(5)7(9)10/h3-5H,1-2H2,(H,9,10)
InChIKeyGEKRXGQNMGXXBJ-UHFFFAOYSA-N
XLogP0.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formylcyclopentene-1-carboxylic acid?
The IUPAC name of 5-formylcyclopentene-1-carboxylic acid (CID 57195870) is 5-formylcyclopentene-1-carboxylic acid.
What is the SMILES notation for 5-formylcyclopentene-1-carboxylic acid?
The canonical SMILES for 5-formylcyclopentene-1-carboxylic acid is O=CC1CCC=C1C(=O)O.
What is the InChIKey of 5-formylcyclopentene-1-carboxylic acid?
The InChIKey is GEKRXGQNMGXXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-4-5-2-1-3-6(5)7(9)10/h3-5H,1-2H2,(H,9,10).
What are the key properties of 5-formylcyclopentene-1-carboxylic acid?
5-formylcyclopentene-1-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formylcyclopentene-1-carboxylic acid is sourced from PubChem (CID 57195870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).