Monomers
N-Vinyl-2-pyrrolidone
Identifiers
IUPAC name
1-ethenylpyrrolidin-2-one
InchI
InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
InchI Key
WHNWPMSKXPGLAX-UHFFFAOYSA-N
SMILES
C=CN1CCCC1=O
Canonical SMILES
C=CN1CCCC1=O
Isomeric SMILES
C=CN1CCCC1=O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H9NO
Heavy Atom Count
8
Molecular Weight
111.144
Exact Molecular Weight
111.0684
Valence Electrons
44
Radical Electrons
0
tPSA
20.31
MolLogP
0.7523
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
17 17 0 0 0 0 0 0 0 0999 V2000
2.5075 0.3112 0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9025 0.2331 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4935 0.0822 -0.2599 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3948 0.0019 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7875 0.1081 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5779 -0.6120 -1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2885 -0.0150 -1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0120 0.3204 -2.6181 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9238 0.2594 1.8542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5678 0.4247 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4581 0.2815 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1725 0.8699 1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2505 -0.9393 1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0200 1.1690 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5411 -0.4088 0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4211 -1.6888 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4114 -0.3974 -1.6739 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 2 0
7 3 1 0
1 9 1 0
1 10 1 0
2 11 1 0
4 12 1 0
4 13 1 0
5 14 1 0
5 15 1 0
6 16 1 0
6 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers