2-cyclopentylidenepropanoic acid

C8H12O2 — CID 12807238

IUPAC2-cyclopentylidenepropanoic acid
SMILESCC(C(=O)O)=C1CCCC1
InChIInChI=1S/C8H12O2/c1-6(8(9)10)7-4-2-3-5-7/h2-5H2,1H3,(H,9,10)
InChIKeyCWUGOLONOBYVMN-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.96
Rot. Bonds1

About 2-cyclopentylidenepropanoic acid

2-cyclopentylidenepropanoic acid (PubChem CID 12807238) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-cyclopentylidenepropanoic acid.

Molecular Properties

Compound Name2-cyclopentylidenepropanoic acid
PubChem CID12807238
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-cyclopentylidenepropanoic acid
SMILESCC(C(=O)O)=C1CCCC1
InChIInChI=1S/C8H12O2/c1-6(8(9)10)7-4-2-3-5-7/h2-5H2,1H3,(H,9,10)
InChIKeyCWUGOLONOBYVMN-UHFFFAOYSA-N
XLogP1.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidenepropanoic acid?
The IUPAC name of 2-cyclopentylidenepropanoic acid (CID 12807238) is 2-cyclopentylidenepropanoic acid.
What is the SMILES notation for 2-cyclopentylidenepropanoic acid?
The canonical SMILES for 2-cyclopentylidenepropanoic acid is CC(C(=O)O)=C1CCCC1.
What is the InChIKey of 2-cyclopentylidenepropanoic acid?
The InChIKey is CWUGOLONOBYVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(8(9)10)7-4-2-3-5-7/h2-5H2,1H3,(H,9,10).
What are the key properties of 2-cyclopentylidenepropanoic acid?
2-cyclopentylidenepropanoic acid has a molecular weight of 140.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidenepropanoic acid is sourced from PubChem (CID 12807238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).