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
2.8326 0.1411 0.3025 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4835 -0.2582 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0905 -0.5613 1.6174 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6636 -0.2886 -0.6901 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7139 -0.7010 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4333 0.1902 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5090 0.8432 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2256 0.9348 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4046 -0.4033 -0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9943 -0.0361 -1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2261 -0.6681 -1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7533 -1.7714 -0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1158 0.3378 1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8737 0.7312 -1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0696 1.5098 0.6811 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