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
2.6361 -0.3128 0.9636 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4271 0.3746 0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9170 1.1727 1.5103 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7833 0.1496 -0.5628 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4428 0.8236 -0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4951 0.4625 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6151 -0.1326 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1282 -0.8530 0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0228 -0.2564 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1902 -0.5179 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7918 0.5282 -1.9014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2497 1.9310 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3284 0.6948 1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8078 -0.3758 -1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3739 -0.3928 0.4506 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