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
2.9621 -0.5422 -0.0946 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6167 -0.9793 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3358 -2.1302 0.4432 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5942 -0.0253 -0.2404 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8119 -0.4246 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6656 0.7251 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4962 1.2206 0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7094 -1.0322 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2462 0.2368 -0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8425 0.9374 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0266 -1.3126 -0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9760 -0.7172 0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6239 1.1645 -1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5721 0.8095 1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1346 2.0697 0.1759 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