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
3.0232 0.3847 0.3757 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8296 0.1863 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8386 0.2473 -1.6565 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5880 -0.0875 0.2278 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6087 -0.2843 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7844 -0.5548 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8587 0.2237 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8432 -0.2475 0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1164 1.1374 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5202 -0.1491 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8035 0.5904 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3514 -1.1228 -1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7710 -1.4239 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7286 0.0177 0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8527 1.0824 -0.4210 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