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
3.0002 -0.4909 -0.4090 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8744 0.0902 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0145 1.0455 1.0756 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5437 -0.3251 0.0058 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5777 0.3184 0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8671 -0.2781 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8032 0.4591 -0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0205 -0.8102 -1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8782 -0.6137 0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3442 -1.0968 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4209 0.0794 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5955 1.3992 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0392 -1.3159 0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6093 1.5125 -0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7628 0.0264 -0.5474 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