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
2.8811 0.3698 0.1460 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7464 -0.3973 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8407 -1.4755 -0.8788 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4066 0.0432 0.1107 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7161 -0.7531 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0190 -0.2154 0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2394 0.8937 0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2947 0.2977 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3441 1.0386 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3774 0.9375 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6909 -0.8021 -1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6254 -1.7951 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8897 -0.8280 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4324 1.5293 1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2779 1.1569 1.0043 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