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
2.5660 0.6756 0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2288 0.4606 0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6013 1.3346 1.2737 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5494 -0.7742 0.3904 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7829 -1.0422 0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8388 -0.1961 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6242 0.7429 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8750 1.6345 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2587 -0.0887 0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 -1.5091 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9031 -1.0562 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0392 -2.0982 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8449 -0.3794 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6440 0.9819 -1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5074 1.3139 -1.0005 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