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
2.7761 0.4646 -0.7320 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5870 0.2473 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3680 0.8156 1.1318 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5914 -0.6544 -0.4516 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.8688 0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3837 0.3705 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6435 0.4877 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2482 1.3769 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2102 -0.3346 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7430 -1.1543 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3661 -1.3817 1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2414 -1.6178 -0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9491 1.2118 1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1017 -0.3465 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2249 1.3836 0.2630 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