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
-2.3880 1.0156 -0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2794 0.1892 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0827 0.0094 1.3727 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4434 -0.3992 -0.8587 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6852 -1.2280 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7418 -0.5401 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6657 0.7377 0.5358 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3727 0.6293 -0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3053 2.0393 -0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6660 -0.2166 -1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1813 -1.6472 -1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3086 -2.1252 0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5956 -1.1096 0.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4790 1.2260 1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8803 1.4195 0.2563 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