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

C10H14O2 — CID 152759780

IUPAC2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid
SMILESC=C1CCCC1C=C(C)C(=O)O
InChIInChI=1S/C10H14O2/c1-7-4-3-5-9(7)6-8(2)10(11)12/h6,9H,1,3-5H2,2H3,(H,11,12)
InChIKeyCURWYLBWHNYGNG-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds2

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 Name2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid
PubChem CID152759780
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methyl-3-(2-methylidenecyclopentyl)prop-2-enoic acid
SMILESC=C1CCCC1C=C(C)C(=O)O
InChIInChI=1S/C10H14O2/c1-7-4-3-5-9(7)6-8(2)10(11)12/h6,9H,1,3-5H2,2H3,(H,11,12)
InChIKeyCURWYLBWHNYGNG-UHFFFAOYSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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).