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
2.9960 0.2932 0.2333 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8076 -0.1270 -0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8538 -0.8020 -1.5214 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5663 0.2654 0.1123 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6469 -0.1401 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7980 0.3833 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6811 -0.4683 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6822 -0.3904 0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1088 1.3321 0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5318 0.8167 0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 -1.2341 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6971 0.2753 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9285 1.4380 0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5690 -1.5467 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5145 -0.0954 1.2871 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