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
3.0367 -0.1260 0.3546 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8412 -0.2967 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8882 -0.5814 -1.6149 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5387 -0.1579 0.1819 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6680 -0.3268 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8282 -0.1058 0.3714 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7189 0.8433 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8857 0.2885 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1260 -0.3986 1.3572 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5235 0.0777 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7758 0.3997 -1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7467 -1.3370 -0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9519 -0.7425 1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5421 0.9855 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6084 1.4781 -0.7030 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