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
2.8586 0.3870 -0.3724 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5934 -0.1564 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4211 -0.6761 1.1581 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4878 -0.1331 -0.8843 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7766 -0.6956 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3366 -0.0320 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5157 0.5544 0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5954 -0.2025 -0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0627 1.3893 -0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6383 0.2984 -1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4822 -0.5388 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7030 -1.7989 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7622 -0.0383 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9423 1.0506 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1387 0.5920 -0.1934 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