3-hydroxy-4-methylcyclopentene-1-carboxylic acid

C7H10O3 — CID 21136467

IUPAC3-hydroxy-4-methylcyclopentene-1-carboxylic acid
SMILESCC1CC(C(=O)O)=CC1O
InChIInChI=1S/C7H10O3/c1-4-2-5(7(9)10)3-6(4)8/h3-4,6,8H,2H2,1H3,(H,9,10)
InChIKeyFRGJZCXQIWXKGQ-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.40
Rot. Bonds1

About 3-hydroxy-4-methylcyclopentene-1-carboxylic acid

3-hydroxy-4-methylcyclopentene-1-carboxylic acid (PubChem CID 21136467) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-hydroxy-4-methylcyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-methylcyclopentene-1-carboxylic acid
PubChem CID21136467
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-hydroxy-4-methylcyclopentene-1-carboxylic acid
SMILESCC1CC(C(=O)O)=CC1O
InChIInChI=1S/C7H10O3/c1-4-2-5(7(9)10)3-6(4)8/h3-4,6,8H,2H2,1H3,(H,9,10)
InChIKeyFRGJZCXQIWXKGQ-UHFFFAOYSA-N
XLogP0.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylcyclopentene-1-carboxylic acid?
The IUPAC name of 3-hydroxy-4-methylcyclopentene-1-carboxylic acid (CID 21136467) is 3-hydroxy-4-methylcyclopentene-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-methylcyclopentene-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-methylcyclopentene-1-carboxylic acid is CC1CC(C(=O)O)=CC1O.
What is the InChIKey of 3-hydroxy-4-methylcyclopentene-1-carboxylic acid?
The InChIKey is FRGJZCXQIWXKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-2-5(7(9)10)3-6(4)8/h3-4,6,8H,2H2,1H3,(H,9,10).
What are the key properties of 3-hydroxy-4-methylcyclopentene-1-carboxylic acid?
3-hydroxy-4-methylcyclopentene-1-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methylcyclopentene-1-carboxylic acid is sourced from PubChem (CID 21136467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).