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
2.5995 0.2078 -0.1115 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2985 0.0003 -0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9986 0.5766 -1.7271 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4085 -0.8198 0.0876 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9088 -1.0583 -0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7864 0.1203 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5099 1.3565 -0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0922 1.0936 -0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0582 -0.5126 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7306 -1.2568 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4533 -1.7930 0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9343 -1.5599 -1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7974 -0.1028 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2495 2.1263 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5464 1.6218 0.2090 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