2-(3-methylidenecyclopentyl)acetic acid

C8H12O2 — CID 55303837

IUPAC2-(3-methylidenecyclopentyl)acetic acid
SMILESC=C1CCC(CC(=O)O)C1
InChIInChI=1S/C8H12O2/c1-6-2-3-7(4-6)5-8(9)10/h7H,1-5H2,(H,9,10)
InChIKeyLXIVFGNLNMVDMA-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.82
Rot. Bonds2

About 2-(3-methylidenecyclopentyl)acetic acid

2-(3-methylidenecyclopentyl)acetic acid (PubChem CID 55303837) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(3-methylidenecyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(3-methylidenecyclopentyl)acetic acid
PubChem CID55303837
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(3-methylidenecyclopentyl)acetic acid
SMILESC=C1CCC(CC(=O)O)C1
InChIInChI=1S/C8H12O2/c1-6-2-3-7(4-6)5-8(9)10/h7H,1-5H2,(H,9,10)
InChIKeyLXIVFGNLNMVDMA-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3-methylidenecyclopentyl)acetic acid?
The IUPAC name of 2-(3-methylidenecyclopentyl)acetic acid (CID 55303837) is 2-(3-methylidenecyclopentyl)acetic acid.
What is the SMILES notation for 2-(3-methylidenecyclopentyl)acetic acid?
The canonical SMILES for 2-(3-methylidenecyclopentyl)acetic acid is C=C1CCC(CC(=O)O)C1.
What is the InChIKey of 2-(3-methylidenecyclopentyl)acetic acid?
The InChIKey is LXIVFGNLNMVDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-2-3-7(4-6)5-8(9)10/h7H,1-5H2,(H,9,10).
What are the key properties of 2-(3-methylidenecyclopentyl)acetic acid?
2-(3-methylidenecyclopentyl)acetic acid has a molecular weight of 140.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidenecyclopentyl)acetic acid is sourced from PubChem (CID 55303837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).