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
3.0356 0.3202 0.0978 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8316 -0.4634 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8270 -1.7088 0.1627 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 0.1482 -0.2728 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6272 -0.6279 -0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7677 0.3099 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7800 0.3961 0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2140 1.0662 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7360 0.1719 0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5447 1.1612 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6017 -1.3927 -1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 -1.1627 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7697 0.9181 -1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5826 1.0773 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7671 -0.2136 1.0707 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