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
2.4706 0.9095 0.2255 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2318 0.2590 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6956 0.4566 1.6459 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6326 -0.5801 -0.4681 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6016 -1.2492 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7768 -0.3887 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8200 0.9153 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8078 0.9482 -0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0555 1.3459 0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1362 -0.6933 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8615 -1.8677 -1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5292 -2.0311 0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7142 -0.9502 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7840 1.4044 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9429 1.5214 -0.2042 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