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
2.7945 0.2531 -0.1933 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4017 0.2092 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7795 1.0850 -1.0869 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6218 -0.8774 0.0864 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8132 -0.9467 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5350 0.2072 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2372 0.9851 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4894 -0.4233 -0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1559 1.0260 0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1457 -1.6030 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0511 -1.1343 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1754 -1.8547 0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4886 0.4177 1.4622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7898 1.8576 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2982 0.7984 -1.4447 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