Methyl cyclopent-1-ene-1-carboxylate

C7H10O2CAS 25662-28-6126.16 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C7H10O2
Molar mass
126.16 g/mol
Exact mass
126.0681 Da
logP
1.27Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
25662-28-6
SMILES
COC(=O)C1=CCCC1
InChIKey
VTYCAXIAUKEGBQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h4H,2-3,5H2,1H3

Weigh it out

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Names and synonyms

1 names
  • Methyl 1-cyclopentene-1-carboxylate

Work with Methyl cyclopent-1-ene-1-carboxylate

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 1-cyclohexene-1-carboxylate18448-47-088 % similar Arecoline63-75-251 % similar Arecoline hydrobromide300-08-347 % similar 2,5-Dihydro-3-thiophenecarboxylic acid methyl ester 1,1-dioxide67488-50-046 % similar 1-Cyclopentene-1-carboxylic acid1560-11-845 % similar Dimethyl oxalate553-90-244 % similar 1-Acetylcyclohexene932-66-144 % similar 1-Methoxycyclohexene931-57-742 % 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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