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
2.7047 -0.1154 -1.0068 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4947 0.3354 -0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2511 1.5813 -0.3794 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6315 -0.6125 0.2207 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5709 -0.1811 0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4044 0.5090 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 0.0326 -0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4246 0.5662 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8744 -1.1328 -1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8922 -1.6143 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1364 -0.9966 1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3151 0.5762 1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0569 1.3836 -0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9683 -0.8405 0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2230 0.5090 -1.1856 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