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
3.0101 0.1702 -0.1854 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7884 -0.5732 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7949 -1.8448 -0.1121 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5782 0.1474 0.0995 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6811 -0.5734 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7647 0.4285 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7582 0.4984 -0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2340 0.9844 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6581 -0.1659 -0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6235 1.2012 0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5748 -1.2272 1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8801 -1.1794 -0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7010 1.0856 1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7810 -0.1800 -1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5464 1.2281 -0.3734 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