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
-2.8921 0.1414 -0.3785 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5145 -0.1054 -0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0029 0.1110 -1.7790 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6251 -0.6022 0.3616 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7814 -0.8469 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4685 0.4084 -0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4851 0.9085 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2189 0.6342 0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5920 -0.1850 -1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9786 -0.8008 1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2881 -1.2496 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8593 -1.5841 -0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1389 0.9457 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9540 1.8082 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8486 0.4167 1.1927 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