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
3.0387 -0.3651 -0.2591 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8450 0.0143 0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8825 0.6573 1.4888 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5539 -0.3013 -0.0995 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6411 0.1099 0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8739 -0.3235 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7337 0.5921 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9523 -0.1754 0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0286 -0.8214 -1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4373 -0.8250 -0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6783 -0.3684 1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6121 1.1973 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9972 -1.3874 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6588 0.3585 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5432 1.6381 -0.2996 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