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
2.9135 -0.0339 0.4613 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5726 0.3143 0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2177 1.5177 0.0338 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5911 -0.6524 -0.2356 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7282 -0.2401 -0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4516 0.5264 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5948 0.0868 0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1674 -0.9021 0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6731 0.6339 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8612 -1.6744 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6850 0.3146 -1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3071 -1.1565 -0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1008 1.4727 0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1543 0.6546 1.6618 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9748 -0.8616 0.5256 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