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
2.5922 0.8991 0.2677 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3069 0.3302 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5761 0.5029 1.3931 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7597 -0.4664 -0.6641 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 -1.0369 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5184 0.0705 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2870 0.1874 0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7828 1.8193 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3250 0.3746 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3153 -0.6375 -1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6218 -1.7962 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8372 -1.5592 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5842 0.8027 -1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9855 1.0194 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2689 -0.5099 1.5258 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