Methyl 3-cyclopentenecarboxylate

C7H10O2CAS 58101-60-3126.15 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C7H10O2
Molar mass
126.15 g/mol
Exact mass
126.0681 Da
logP
1.13Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, P501

Identifiers

CAS number
58101-60-3
SMILES
COC(=O)C1CC=CC1
InChIKey
CEOILRYKIJRPBZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h2-3,6H,4-5H2,1H3

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Names and synonyms

1 names
  • Methyl cyclopent-3-ene-1-carboxylate

Work with Methyl 3-cyclopentenecarboxylate

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

Methyl 4-cyclohexenecarboxylate6493-77-274 % similar Methyl cyclopropanecarboxylate2868-37-363 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-263 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-063 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-158 % similar Methyl cyclopentanecarboxylate4630-80-258 % similar Cyclobutanecarboxylic acid methyl ester765-85-558 % similar Ethyl cyclopent-3-enecarboxylate21622-01-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1,3-cyclohexanedione1193-55-1 Cycloheptane-1,3-dione1194-18-9 3,4-Dimethyl 1,2-cyclopentandione13494-06-9 3,5-Dimethyl-1,2-cyclopentanedione13494-07-0 tert-Butyl propiolate13831-03-3 Methyl 2,4-hexadienoate1515-80-6 Methyl 3-methylenecyclobutanecarboxylate15963-40-3 2-Acetylcyclopentanone1670-46-8

Elsewhere

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