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
3.0309 -0.2312 0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7992 0.4677 0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7908 1.5899 0.8952 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5886 -0.0324 -0.1903 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6108 0.7573 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7903 0.0948 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8333 -0.1933 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6873 -0.1415 -0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2656 -0.8574 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5648 -0.9547 -0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7539 0.9803 1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4292 1.7585 -0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7743 -0.1457 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8497 0.0469 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6858 -0.6740 -0.3755 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