Monomers
Vinylcarbamic acid ethyl ester
Identifiers
IUPAC name
ethyl N-ethenylcarbamate
InchI
InChI=1S/C5H9NO2/c1-3-6-5(7)8-4-2/h3H,1,4H2,2H3,(H,6,7)
InchI Key
HNPDNOZNULJJDL-UHFFFAOYSA-N
SMILES
CCOC(=O)NC=C
Canonical SMILES
CCOC(=O)NC=C
Isomeric SMILES
CCOC(=O)NC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H9NO2
Heavy Atom Count
8
Molecular Weight
115.132
Exact Molecular Weight
115.0633
Valence Electrons
46
Radical Electrons
0
tPSA
38.33
MolLogP
0.876
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
17 16 0 0 0 0 0 0 0 0999 V2000
3.2897 -0.1586 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9690 0.2542 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8873 -0.3079 0.3065 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4458 -0.0265 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5530 0.7272 -1.0515 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5296 -0.5864 0.6242 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8685 -0.3513 0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3111 0.3933 -0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9988 0.7118 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7148 -1.0422 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1428 -0.4170 1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8761 1.3712 -0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9250 0.0537 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 -1.2259 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6782 -0.8295 0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6947 0.9254 -1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3896 0.5087 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers