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
2.3390 1.0080 0.3622 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2451 0.1201 0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8630 -0.4954 1.3761 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5045 -0.1544 -0.8561 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6100 -1.0669 -0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6850 -0.5855 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6941 0.5715 0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1044 0.8369 1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3861 1.8250 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7970 0.3244 -1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9364 -1.2317 -1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2602 -2.0814 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5673 -1.2363 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9224 1.3247 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5639 0.8411 1.3228 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