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
3.0339 -0.3907 0.0495 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8233 0.1117 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8083 0.9505 -1.4396 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5707 -0.3104 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6636 0.2133 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8560 -0.3371 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7191 0.4536 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8979 -0.3903 -0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0850 -0.7665 1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5851 -0.9972 0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7194 0.0451 -1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6702 1.3091 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0070 -1.4122 0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5783 0.0051 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5906 1.5160 0.8005 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