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
3.0187 0.4651 -0.2804 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8475 -0.3567 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9252 -1.5857 0.0636 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5513 0.1846 -0.4304 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6191 -0.6718 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8237 0.1681 -0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 0.2818 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9552 0.0751 -0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9361 1.4889 -0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4887 1.2043 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7294 -1.1515 0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4847 -1.4446 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9529 0.6938 -1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6586 0.8797 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6838 -0.2312 1.2518 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