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
2.7456 0.5433 0.5901 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4018 0.0499 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8647 0.0335 1.9092 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7449 -0.4121 -0.3813 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6058 -0.9167 -0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4801 0.1339 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5380 0.5494 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8738 1.2002 -0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5117 0.2169 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2374 -0.3842 -1.3228 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5889 -1.8156 0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9430 -1.2081 -1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2749 0.5835 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7442 0.1045 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2051 1.3217 -0.0973 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