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
3.2080 0.0012 0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1978 0.8515 0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9407 0.4353 0.0101 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 -0.9147 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5315 -1.2063 -1.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5006 -1.1682 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2144 0.1133 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5412 1.3660 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0836 1.4127 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3739 2.5953 0.0367 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1726 0.3422 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1368 -1.0070 0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3256 1.8646 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9841 -1.6343 0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6512 -1.1582 -1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7670 -0.3565 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5278 -2.1568 -1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2546 -1.9888 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9747 -1.4888 1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1884 0.0594 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5023 0.1283 1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8580 1.7399 -1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8889 2.1699 0.6871 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