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
3.0622 -0.0207 -0.0412 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7779 -0.3226 -0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6306 -0.7931 -1.7301 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5693 -0.1102 0.1765 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7325 -0.4263 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7489 -0.0927 0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6714 0.7990 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8906 -0.4478 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1233 0.6186 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6905 0.2767 1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8014 -1.5064 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8648 0.2079 -1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7367 -0.5744 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7477 1.3254 -0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4410 1.0667 1.1010 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