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
-2.6637 0.8561 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3089 -0.4444 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9700 -0.8833 -0.0699 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1520 -0.1025 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0765 0.9964 0.8533 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4904 -0.4911 0.0268 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5959 0.3209 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8273 -0.0571 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7719 0.9282 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3383 0.9262 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3066 1.7340 0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0768 -1.1878 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3476 -0.2520 1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8459 -1.7953 -0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6662 -1.4201 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3566 1.2614 0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9922 -0.9998 -0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6254 0.6102 0.4576 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