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
Resources
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
3.2495 0.2342 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8661 0.7809 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9032 -0.2097 -0.3872 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5070 0.0126 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8506 1.0771 0.2779 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4666 -0.9193 -0.6672 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8602 -0.7891 -0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5339 0.1883 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6857 -0.3067 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1943 -0.5242 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8677 1.0523 -0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6783 1.7176 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8247 0.9540 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1860 -1.1080 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0600 -1.8066 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4739 -1.6307 -0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6383 0.2184 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0648 1.0588 0.3267 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