1-(Phenylmethyl)-3-pyrrolidinone

C₁₁H₁₃NOCAS 775-16-6175.23 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₁H₁₃NO
Molar mass: 175.23 g/mol
Exact mass: 175.0997 Da
Boiling point: 109 °C (at 1.1 Torr)
logP: 1.46Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation90% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

775-16-6

SMILES

O=C1CCN(Cc2ccccc2)C1

InChIKey

DHGMDHQNUNRMIN-UHFFFAOYSA-N

InChI

InChI=1S/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2

Weigh it out

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

Names and synonyms

5 names

3-Pyrrolidinone, 1-(phenylmethyl)-
3-Pyrrolidinone, 1-benzyl-
1-Benzyl-3-pyrrolidinone
1-Benzyl-3-pyrrolidone
N-Benzyl-3-pyrrolidinone

Work with 1-(Phenylmethyl)-3-pyrrolidinone

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-Benzyl-4-piperidone3612-20-282 % similar 1-Benzyl-3-piperidone40114-49-680 % similar 1-Benzyl-3-piperidone hydrochloride hydrate50606-58-173 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-972 % similar N-Phenethyl-4-piperidinone39742-60-465 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-554 % similar N-Benzylaminodiacetic acid3987-53-953 % similar Tribenzylamine620-40-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Ethyl-1-methyl-1,3-dihydro-2H-indol-2-one2525-35-1 Indole-3-propanol3569-21-9 4-(1-Pyrrolidinyl)benzaldehyde51980-54-2 4-Butoxybenzonitrile5203-14-5 1-Benzyl-3-pyrrolidone5291-77-0 4-(Dimethylamino)cinnamaldehyde6203-18-5 4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol69088-96-6 4-N-Butylphenyl isocyanate69342-47-8

Elsewhere

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