chempirical

1-Cyclopentene-1-carboxylic acid

C6H8O2CAS 1560-11-8112.13 g/mol

Open in Covalent MOL file
OHO
AlkeneCarboxylic acid

Properties

Molecular formula
C6H8O2
Molar mass
112.13 g/mol
Exact mass
112.0524 Da
Melting point
119 °C
Boiling point
210–215 °C (at 15 Torr)
logP
1.18Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1560-11-8
SMILES
O=C(O)C1=CCCC1
InChIKey
PYRZPBDTPRQYKG-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h3H,1-2,4H2,(H,7,8)

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Names and synonyms

4 names
  • Isoaleprolic acid
  • 1-Cyclopentenecarboxylic acid
  • 1-Cyclopentenylcarboxylic acid
  • NSC 44968

Work with 1-Cyclopentene-1-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Cyclohexene-1-carboxylic acid636-82-887 % similar Arecaidine499-04-745 % similar Perillic acid7694-45-339 % similar Methyl 1-cyclohexene-1-carboxylate18448-47-039 % similar 1-Cyclohexene-1-acetic acid18294-87-636 % similar 2-Pentyl-2-cyclopenten-1-one25564-22-135 % similar trans-Aconitic acid4023-65-835 % similar cis-Aconitic acid585-84-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Dihydro-2H-pyran-2-carboxaldehyde100-73-2 Sorbic acid110-44-1 2,5-Dimethyl-3(2H)furanone14400-67-0 Vinyl crotonate14861-06-4 1-Acetoxy-1,3-butadiene1515-76-0 3-Methylenecyclobutanecarboxylic acid15760-36-8 5-Methyl-2-furanmethanol3857-25-8 α-Methyl-2-furanmethanol4208-64-4

Elsewhere

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