Vinylcaprolactam

C₈H₁₃NOCAS 2235-00-9139.20 g/mol

Open in Covalent MOL file

Alkene Amide Lactam

Properties

Molecular formula: C₈H₁₃NO
Molar mass: 139.20 g/mol
Exact mass: 139.0997 Da
Density: 1.0084 g/mL (at 40 °C)
Melting point: 34–35 °C
Boiling point: 104–105.5 °C (at NaN Torr)
logP: 1.53Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed96.1% of notifiers
H312 Harmful in contact with skin65.6% of notifiers
H317 May cause an allergic skin reaction79.6% of notifiers
H319 Causes serious eye irritation90.4% of notifiers
H335 May cause respiratory irritation11.4% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure70% of notifiers

Aggregated from 387 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2235-00-9

SMILES

C=CN1CCCCCC1=O

InChIKey

JWYVGKFDLWWQJX-UHFFFAOYSA-N

InChI

InChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8(9)10/h2H,1,3-7H2

Weigh it out

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

Names and synonyms

13 names · show all

2H-Azepin-2-one, 1-ethenylhexahydro-
2H-Azepin-2-one, hexahydro-1-vinyl-
1-Ethenylhexahydro-2H-azepin-2-one
N-Vinylcaprolactam
N-Vinyl-ε-caprolactam
1-Vinylcaprolactam
N-Vinylazepan-2-one
V-CAP
V-Cap RC
NVC
1-Vinyl-2-azepanone
1-Ethenylazepan-2-one
1-Vinylazepan-2-one

Work with Vinylcaprolactam

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

N-Vinylpyrrolidone88-12-084 % similar Polyvinylpyrrolidone9003-39-884 % similar Povidone-iodine25655-41-875 % similar Vinyl acetate-vinylpyrrolidone copolymer25086-89-957 % similar 1-(2-Oxoazepane-1-carbonyl)azepan-2-one19494-73-645 % similar Dithiodicaprolactam23847-08-745 % similar N-Methylcaprolactam2556-73-245 % similar Acetylcaprolactam1888-91-142 % similar

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

Same formula

7-Cyanoheptanal13050-09-4 trans-1-Isocyanato-4-methylcyclohexane32175-00-1 Tropinone532-24-1 1-Cyclopropylpiperidin-4-one62813-01-8 3-Amino-5,5-dimethyl-2-cyclohexen-1-one873-95-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook