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
-2.9630 -0.2754 -0.5586 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8179 0.4006 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 1.5828 0.3251 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5639 -0.2584 -0.0382 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5874 0.4599 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7687 -0.4370 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7956 -0.0667 -0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8706 -0.0855 -0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9362 -0.9542 -1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4982 -1.2462 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7689 1.4116 -0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4297 0.6949 1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7669 -1.3682 0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6548 -0.7258 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7652 0.8676 -0.8729 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