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
2.4403 -0.0584 0.8611 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2689 -0.5537 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9427 -1.7852 0.3543 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5082 0.3559 -0.5735 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6946 -0.0725 -1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7817 -0.5210 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7068 -0.4878 0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4610 0.2381 1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3049 0.0004 0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8646 1.3421 -0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4603 -0.9049 -1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0934 0.7882 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6941 -0.8996 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5391 -0.8333 1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8206 -0.0990 1.4049 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