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
3.0288 0.3822 0.1819 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7415 0.6053 -0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5389 1.4391 -1.3163 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5930 -0.1243 0.0638 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7180 0.0684 -0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6821 -0.8284 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7257 -0.3348 0.8543 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4672 -0.5572 0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5503 1.2122 0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7509 -0.8047 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9923 1.1372 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7325 -0.0833 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5107 -1.8959 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8631 0.7531 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4460 -0.9688 1.3602 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