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
2.9585 -0.5147 0.7598 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8869 0.0162 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1071 0.8393 -0.9459 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5254 -0.3178 0.2277 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5501 0.2634 -0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8727 -0.2433 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8300 0.5526 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1764 -1.5285 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5982 0.1381 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3230 -0.9883 0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3087 -0.0084 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5290 1.3526 -0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0267 -1.3143 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6837 1.6217 0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7747 0.1315 0.5868 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