2-chloro-2-cyclopent-2-en-1-ylpropanoic acid

C8H11ClO2 — CID 155057251

IUPAC2-chloro-2-cyclopent-2-en-1-ylpropanoic acid
SMILESCC(Cl)(C(=O)O)C1C=CCC1
InChIInChI=1S/C8H11ClO2/c1-8(9,7(10)11)6-4-2-3-5-6/h2,4,6H,3,5H2,1H3,(H,10,11)
InChIKeyXUFYHEDVAZFLGH-UHFFFAOYSA-N
MW174.63 g/mol
LogP2.03
Rot. Bonds2

About 2-chloro-2-cyclopent-2-en-1-ylpropanoic acid

2-chloro-2-cyclopent-2-en-1-ylpropanoic acid (PubChem CID 155057251) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-chloro-2-cyclopent-2-en-1-ylpropanoic acid.

Molecular Properties

Compound Name2-chloro-2-cyclopent-2-en-1-ylpropanoic acid
PubChem CID155057251
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Name2-chloro-2-cyclopent-2-en-1-ylpropanoic acid
SMILESCC(Cl)(C(=O)O)C1C=CCC1
InChIInChI=1S/C8H11ClO2/c1-8(9,7(10)11)6-4-2-3-5-6/h2,4,6H,3,5H2,1H3,(H,10,11)
InChIKeyXUFYHEDVAZFLGH-UHFFFAOYSA-N
XLogP2.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopent-2-en-1-yl-3-methylbutan-2-one
CID 13127866
2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid
CID 91016735
methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate
CID 10919705
3-butan-2-yloxy-2-cyclopent-2-en-1-yl-2-methyl-3-oxopropanoic acid
CID 70453874
2-cyclohex-2-en-1-yl-2-methylbutanoic acid
CID 112704157
2-cyclohex-2-en-1-yl-2,4-dimethylpentanoic acid
CID 154015251
dimethyl 2-acetyloxy-2-[(1R)-cyclopent-2-en-1-yl]propanedioate
CID 11821201
azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)
CID 10919704
2-cyclohex-2-en-1-yl-2-methylpentan-3-one
CID 59350174
dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate
CID 132553067
2-bromo-2-chloropropanoic acid
CID 523004
(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
CID 55301012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-cyclopent-2-en-1-ylpropanoic acid?
The IUPAC name of 2-chloro-2-cyclopent-2-en-1-ylpropanoic acid (CID 155057251) is 2-chloro-2-cyclopent-2-en-1-ylpropanoic acid.
What is the SMILES notation for 2-chloro-2-cyclopent-2-en-1-ylpropanoic acid?
The canonical SMILES for 2-chloro-2-cyclopent-2-en-1-ylpropanoic acid is CC(Cl)(C(=O)O)C1C=CCC1.
What is the InChIKey of 2-chloro-2-cyclopent-2-en-1-ylpropanoic acid?
The InChIKey is XUFYHEDVAZFLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2/c1-8(9,7(10)11)6-4-2-3-5-6/h2,4,6H,3,5H2,1H3,(H,10,11).
What are the key properties of 2-chloro-2-cyclopent-2-en-1-ylpropanoic acid?
2-chloro-2-cyclopent-2-en-1-ylpropanoic acid has a molecular weight of 174.63 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-cyclopent-2-en-1-ylpropanoic acid is sourced from PubChem (CID 155057251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).