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
3.0510 0.2553 0.1916 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8210 -0.2408 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8737 -1.2123 -1.1531 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5762 0.3191 0.0506 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6231 -0.2225 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8536 0.4421 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7611 -0.2663 0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8444 -0.3883 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0881 1.2687 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5895 1.1060 0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6734 -1.3201 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -0.1027 -1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9808 1.4859 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6745 0.2012 0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6664 -1.3252 0.8012 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