3-prop-2-enoxycyclopentane-1-carboxylic acid

C9H14O3 — CID 67841552

IUPAC3-prop-2-enoxycyclopentane-1-carboxylic acid
SMILESC=CCOC1CCC(C(=O)O)C1
InChIInChI=1S/C9H14O3/c1-2-5-12-8-4-3-7(6-8)9(10)11/h2,7-8H,1,3-6H2,(H,10,11)
InChIKeyREDXPSZYIYIFPX-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.44
Rot. Bonds4

About 3-prop-2-enoxycyclopentane-1-carboxylic acid

3-prop-2-enoxycyclopentane-1-carboxylic acid (PubChem CID 67841552) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-prop-2-enoxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-prop-2-enoxycyclopentane-1-carboxylic acid
PubChem CID67841552
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3-prop-2-enoxycyclopentane-1-carboxylic acid
SMILESC=CCOC1CCC(C(=O)O)C1
InChIInChI=1S/C9H14O3/c1-2-5-12-8-4-3-7(6-8)9(10)11/h2,7-8H,1,3-6H2,(H,10,11)
InChIKeyREDXPSZYIYIFPX-UHFFFAOYSA-N
XLogP1.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.44
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 3-prop-2-enoxycyclopentane-1-carboxylic acid?
The IUPAC name of 3-prop-2-enoxycyclopentane-1-carboxylic acid (CID 67841552) is 3-prop-2-enoxycyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-prop-2-enoxycyclopentane-1-carboxylic acid?
The canonical SMILES for 3-prop-2-enoxycyclopentane-1-carboxylic acid is C=CCOC1CCC(C(=O)O)C1.
What is the InChIKey of 3-prop-2-enoxycyclopentane-1-carboxylic acid?
The InChIKey is REDXPSZYIYIFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-5-12-8-4-3-7(6-8)9(10)11/h2,7-8H,1,3-6H2,(H,10,11).
What are the key properties of 3-prop-2-enoxycyclopentane-1-carboxylic acid?
3-prop-2-enoxycyclopentane-1-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 67841552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).