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
2.7588 -0.1021 -0.6247 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4162 -0.5121 -0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8402 -1.2107 -1.4099 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6942 -0.1096 0.6222 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6941 -0.4783 0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4774 0.0937 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4499 0.9561 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4800 -0.6022 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0288 0.6891 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1760 0.4786 1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0608 -0.0175 1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7831 -1.5894 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2377 -0.2070 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6641 1.2335 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0272 1.3779 -0.8619 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