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
-2.2171 1.0269 1.1005 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3011 0.2853 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4000 0.3737 -0.9895 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3106 -0.5258 0.9095 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6315 -1.2762 0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5684 -0.4896 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5524 0.8260 -0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9289 1.9546 1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1543 0.5916 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2910 -0.5586 1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2723 -1.9020 0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1364 -2.0129 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3032 -0.9927 -1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2724 1.3628 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8663 1.3370 0.0063 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