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
3.1886 -0.4300 -0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3989 0.4070 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0167 0.1272 0.0965 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5351 -1.1207 -0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8399 -1.3722 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7694 -0.4517 -0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1376 0.7825 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1310 1.4142 0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2729 1.1181 0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 1.9630 1.3363 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2482 -0.2206 -0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 -1.3841 -1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8063 1.3311 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1912 -1.9796 -0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4771 -1.0063 -1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0869 -2.4418 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8940 -1.2696 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7025 -1.0406 -0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3573 -0.2035 -1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0498 0.5651 0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4887 1.5087 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3504 1.1843 2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2413 2.5197 0.9178 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