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
2.6497 -0.3801 0.6427 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3114 -0.3640 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5603 -1.3013 0.6345 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7679 0.6010 -0.6736 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6359 0.4800 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5177 0.5471 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3119 -0.4911 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4115 -0.5456 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8535 -0.2255 1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3916 1.3570 -1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7421 -0.5059 -1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9298 1.2554 -1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5228 1.4130 0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3298 -1.3792 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9559 -0.4608 1.3023 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