2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid

C₁₀H₁₄O₂ — CID 152759780

About 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid

2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid (PubChem CID 152759780) has the molecular formula C₁₀H₁₄O₂ and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid.

Molecular Properties

• Compound Name: 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid
• PubChem CID: 152759780
• Molecular Formula: C₁₀H₁₄O₂
• Molecular Weight: 166.22 g/mol
• Exact Mass: 166.10
• IUPAC Name: 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid
• SMILES: C=C1CCCC1C=C(C)C(=O)O
• InChI: InChI=1S/C10H14O2/c1-7-4-3-5-9(7)6-8(2)10(11)12/h6,9H,1,3-5H2,2H3,(H,11,12)
• InChIKey: CURWYLBWHNYGNG-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.22
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid?

The IUPAC name of 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid (CID 152759780) is 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid.

What is the SMILES notation for 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid?

The canonical SMILES for 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid is C=C1CCCC1C=C(C)C(=O)O.

What is the InChIKey of 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid?

The InChIKey is CURWYLBWHNYGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-4-3-5-9(7)6-8(2)10(11)12/h6,9H,1,3-5H2,2H3,(H,11,12).

What are the key properties of 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid?

2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid has a molecular weight of 166.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid is sourced from PubChem (CID 152759780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152759780 — identifiers, structure, computed properties (public domain)

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