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
2.8492 0.3239 0.2988 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5705 0.0066 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3859 0.1982 -1.4617 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5762 -0.5055 0.6405 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7342 -0.8384 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4341 0.3003 -0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5919 0.7189 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2089 1.2906 0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4794 -0.4581 0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7688 -0.6489 1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5654 -1.6551 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3276 -1.2996 0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0030 0.8166 -1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0216 0.1981 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1610 1.5523 -0.3878 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