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
2.8383 0.6876 0.4547 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7834 -0.1740 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0126 -1.2346 -0.5469 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4169 0.1344 0.4070 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5848 -0.8094 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9627 -0.4696 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3830 0.5981 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8134 0.3969 0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6054 1.6225 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2031 1.0267 0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5332 -0.8318 -1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3267 -1.8466 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7296 -1.2040 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4347 0.7411 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7185 1.3627 1.3404 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