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
2.9699 0.6703 0.5309 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8899 0.1217 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0907 -0.3233 -1.3818 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5690 0.0428 0.2763 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5331 -0.5169 -0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8045 -0.4849 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8694 0.1568 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9447 0.4273 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8412 1.2909 1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3800 0.4027 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6681 -0.0372 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2610 -1.5931 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8668 -1.0163 1.1851 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7759 0.1415 0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9065 0.7178 -1.1105 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