Monomers
1-Ethenyl-3-ethylurea
Identifiers
IUPAC name
1-ethenyl-3-ethylurea
InchI
InChI=1S/C5H10N2O/c1-3-6-5(8)7-4-2/h3H,1,4H2,2H3,(H2,6,7,8)
InchI Key
LIOYFPXDFZHOGN-UHFFFAOYSA-N
SMILES
CCNC(=O)NC=C
Canonical SMILES
CCNC(=O)NC=C
Isomeric SMILES
CCNC(=O)NC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H10N2O
Heavy Atom Count
8
Molecular Weight
114.148
Exact Molecular Weight
114.0793
Valence Electrons
46
Radical Electrons
0
tPSA
41.13
MolLogP
0.449
H Bond Acceptors
1
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
18 17 0 0 0 0 0 0 0 0999 V2000
-2.3927 0.3399 0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2240 -0.5613 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0519 -0.1429 -1.0337 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2559 -0.1496 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 -0.5224 0.7687 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4000 0.2506 -1.1164 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7337 0.2943 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1555 -0.0321 0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3346 0.9228 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5635 1.0427 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4765 -0.2985 1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0522 -1.6057 0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1033 -0.5643 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1601 0.1646 -2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2239 0.5560 -2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5307 0.6448 -1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1982 0.0390 0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4994 -0.3780 1.3028 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
3 14 1 0
6 15 1 0
7 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers