1-(1-Cyclohexen-1-yl)pyrrolidine

C₁₀H₁₇NCAS 1125-99-1151.25 g/mol

Open in Covalent MOL file

Alkene Tertiary amine

Properties

Molecular formula: C₁₀H₁₇N
Molar mass: 151.25 g/mol
Exact mass: 151.1361 Da
Melting point: 113 °C
Boiling point: 107–114 °C (at 12 Torr)
logP: 2.54Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor91.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1125-99-1

SMILES

C1=C(N2CCCC2)CCCC1

InChIKey

KTZNVZJECQAMBV-UHFFFAOYSA-N

InChI

InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

Pyrrolidine, 1-(1-cyclohexen-1-yl)-
1-Pyrrolidinocyclohexene
Cyclohexanone pyrrolidine enamine
1-(1-Pyrrolidinyl)cyclohexene
1-(1-Pyrrolidino)-1-cyclohexene
1-Pyrrolidino-1-cyclohexene
N-(1-Cyclohexenyl)pyrrolidine
N-(1-Cyclohexen-1-yl)pyrrolidine
1-(1-Cyclohexenyl)pyrrolidine
1-(Pyrrolidine-1-yl)-1-cyclohexene
NSC 29652

Work with 1-(1-Cyclohexen-1-yl)pyrrolidine

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-(1-Cyclohexen-1-yl)piperidine2981-10-495 % similar 1-(1-Cyclopenten-1-yl)pyrrolidine7148-07-486 % similar 1-Morpholinocyclohexene670-80-469 % similar 1-Morpholinocyclopentene936-52-759 % similar 1-Cyclohexene-1-carboxaldehyde1192-88-739 % similar Methylcyclohexene591-49-137 % similar 1-Chlorocyclohexene930-66-537 % similar 1-Cyclohexene-1-carbonitrile1855-63-633 % similar

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

Same formula

3-tert-Butyl-2,4-dimethyl-1H-pyrrole151464-91-4 Citronellyl nitrile51566-62-2 Amantadine768-94-5 (2E)-N,6,6-Trimethyl-2-hepten-4-yn-1-amine83554-69-2

Elsewhere

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