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
2.7977 0.7087 -0.2054 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7898 -0.0972 0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1632 -1.0176 1.1861 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 0.1181 0.1758 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5273 -0.7253 0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9522 -0.4534 0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4035 0.4946 -0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2961 1.3774 0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9911 0.6000 -1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1465 0.8867 -0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4002 -0.7405 1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3599 -1.8062 0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6661 -1.1241 1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4840 0.5901 -0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7974 1.1886 -0.8003 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