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
3.0275 0.3132 -0.0729 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7228 0.4590 -0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5023 1.1269 -1.6723 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6289 -0.1569 0.0531 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7357 -0.0308 -0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7077 -0.7436 0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6972 -0.0662 0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6191 1.1659 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4489 -0.5902 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8049 -0.7040 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7934 -0.3969 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9898 1.0400 -0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6139 -1.8119 0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4184 -0.6133 1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7983 1.0087 0.7867 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