Monomers
N-Vinylcaprolactam
Identifiers
IUPAC name
1-ethenylazepan-2-one
InchI
InChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8(9)10/h2H,1,3-7H2
InchI Key
JWYVGKFDLWWQJX-UHFFFAOYSA-N
SMILES
C=CN1CCCCCC1=O
Canonical SMILES
C=CN1CCCCCC1=O
Isomeric SMILES
C=CN1CCCCCC1=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H13NO
Heavy Atom Count
10
Molecular Weight
139.198
Exact Molecular Weight
139.0997
Valence Electrons
56
Radical Electrons
0
tPSA
20.31
MolLogP
1.5325
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
23 23 0 0 0 0 0 0 0 0999 V2000
2.8573 -1.5985 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3665 -0.3918 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9756 -0.1009 -0.2640 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1800 -1.2392 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2788 -1.0634 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7710 0.1086 0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8598 1.2811 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5619 1.9985 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5921 1.2163 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4048 1.8810 -1.2357 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2613 -2.4640 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9188 -1.7656 -0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0529 0.4012 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4360 -2.0467 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5394 -1.6373 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6583 -1.0493 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7343 -1.9787 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7817 -0.1046 1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0938 0.3620 1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6753 1.9298 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1268 0.9718 -1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3640 2.3302 0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6790 2.9595 -0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
4 15 1 0
5 16 1 0
5 17 1 0
6 18 1 0
6 19 1 0
7 20 1 0
7 21 1 0
8 22 1 0
8 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers