N-Cyclohexyl-2-pyrrolidone

C₁₀H₁₇NOCAS 6837-24-7167.25 g/mol

Open in Covalent MOL file

Amide Lactam

Properties

Molecular formula: C₁₀H₁₇NO
Molar mass: 167.25 g/mol
Exact mass: 167.1310 Da
Boiling point: 94–97 °C (at 0.5 Torr)
logP: 1.94Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302+H312 Harmful if swallowed or in contact with skin25.5% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage98.7% of notifiers
H318 Causes serious eye damage71.2% of notifiers

Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

6837-24-7

SMILES

O=C1CCCN1C1CCCCC1

InChIKey

PZYDAVFRVJXFHS-UHFFFAOYSA-N

InChI

InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2

Weigh it out

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

Names and synonyms

7 names

2-Pyrrolidinone, 1-cyclohexyl-
1-Cyclohexyl-2-pyrrolidinone
N-Cyclohexylpyrrolidone
N-Cyclohexylpyrrolidinone
N-Cyclohexyl-2-pyrrolidinone
1-Cyclohexyl-2-pyrrolidone
CHP

Work with N-Cyclohexyl-2-pyrrolidone

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

(αS)-α-Ethyl-2-oxo-1-pyrrolidineacetic acid102849-49-043 % similar Levetiracetam acid103833-72-343 % similar N-Methylcaprolactam2556-73-242 % similar N-Methyl-2-pyrrolidone872-50-441 % similar Levetiracetam102767-28-241 % similar Alpha-ethyl-2-oxo-1-Pyrrolidineacetamide33996-58-641 % similar N-Octylpyrrolidone2687-94-738 % similar N-Dodecyl-2-pyrrolidone2687-96-938 % similar

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

Same formula

Benzyltrimethylammonium hydroxide100-85-6 (+)-Camphor oxime2792-42-9 1-Morpholinocyclohexene670-80-4 3-Amino-1-adamantanol702-82-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia