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
-2.8180 -0.4019 -0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1518 0.9362 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8323 0.8266 0.5342 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1798 0.1390 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0049 -0.3996 -1.3033 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4940 0.0379 0.3673 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5508 -0.6203 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7392 -0.6837 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6581 -0.2034 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1408 -1.1269 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2962 -0.7941 0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8246 1.4879 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1813 1.5493 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 1.2494 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6445 0.4813 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3923 -1.0818 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9175 -0.2202 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5917 -1.1756 -0.1621 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