Monomers
Allylurea
Identifiers
IUPAC name
prop-2-enylurea
InchI
InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InchI Key
VPJDULFXCAQHRC-UHFFFAOYSA-N
SMILES
NC(=O)NCC=C
Canonical SMILES
C=CCNC(=O)N
Isomeric SMILES
C=CCNC(=O)N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H8N2O
Heavy Atom Count
7
Molecular Weight
100.121
Exact Molecular Weight
100.0637
Valence Electrons
40
Radical Electrons
0
tPSA
55.12
MolLogP
-0.1593
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
15 14 0 0 0 0 0 0 0 0999 V2000
2.8650 0.4362 -0.3511 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5436 0.0326 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1461 0.1028 -1.8838 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6642 -0.4526 0.3152 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6820 -0.8782 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5305 0.1859 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6336 0.6344 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3244 0.1288 0.5341 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4306 1.0562 -0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0352 -0.4939 1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 -1.6832 -0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1259 -1.3270 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2289 0.6248 -1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2319 1.4144 -0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9604 0.2188 0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 2 3
1 8 1 0
1 9 1 0
4 10 1 0
5 11 1 0
5 12 1 0
6 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers