2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid

C7H10O3 — CID 77192746

IUPAC2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1CCC=C1CO
InChIInChI=1S/C7H10O3/c8-4-5-2-1-3-6(5)7(9)10/h2,6,8H,1,3-4H2,(H,9,10)
InChIKeyIUKDDDIZTVTKAC-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.40
Rot. Bonds2

About 2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid

2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid (PubChem CID 77192746) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid
PubChem CID77192746
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1CCC=C1CO
InChIInChI=1S/C7H10O3/c8-4-5-2-1-3-6(5)7(9)10/h2,6,8H,1,3-4H2,(H,9,10)
InChIKeyIUKDDDIZTVTKAC-UHFFFAOYSA-N
XLogP0.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.40
H-Bond Donors ≤ 52
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 2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid (CID 77192746) is 2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid is O=C(O)C1CCC=C1CO.
What is the InChIKey of 2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is IUKDDDIZTVTKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-4-5-2-1-3-6(5)7(9)10/h2,6,8H,1,3-4H2,(H,9,10).
What are the key properties of 2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid?
2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 77192746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).