1-Methylpyrrolidin-3-one
Properties
- Molecular formula
- C5H9NO
- Molar mass
- 99.13 g/mol
- Exact mass
- 99.0684 Da
- logP
- -0.11Crippen estimate
- Polar surface area
- 20.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H318 Causes serious eye damage100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 41 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, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
68165-06-0SMILES
CN1CCC(=O)C1InChIKey
SLPUTJFVMJPMKV-UHFFFAOYSA-NInChI
InChI=1S/C5H9NO/c1-6-3-2-5(7)4-6/h2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-Pyrrolidone, 1-methyl-
Work with 1-Methylpyrrolidin-3-one
Similar compounds
1-Methyl-4-piperidone1445-73-471 % similar
1-Methylhexahydro-4-azepinone hydrochloride19869-42-254 % similar
1-Methyl-3-oxopiperazine34770-60-041 % similar
1-Ethyl-4-piperidinone3612-18-841 % similar
1-N-Ethoxycarbonyl-3-pyrrolidone14891-10-239 % similar
1-Propyl-4-piperidone23133-37-139 % similar
1-Acetyl-4-piperidone32161-06-139 % similar
1-(Isopropyl)-4-piperidone5355-68-039 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.