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
2.6687 0.6610 -0.4268 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3286 0.4886 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6951 1.4788 0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7470 -0.8077 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6043 -1.0286 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5837 -0.2053 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3421 0.6755 0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2698 -0.1646 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0817 1.6040 -0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2918 -1.6113 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6573 -0.7890 1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8714 -2.0996 0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7024 -0.2992 -1.3932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0687 1.2968 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2529 0.8006 1.3918 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