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
-2.9089 0.0086 -0.1434 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5782 -0.0960 0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3149 0.3123 1.5095 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5128 -0.6594 -0.4190 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8263 -0.7724 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4198 0.5386 0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5094 0.9459 -0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7502 -0.0638 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0580 0.1684 -1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7393 -0.9982 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4349 -1.3161 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7890 -1.4526 0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9577 1.1520 1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9722 0.3364 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9530 1.8962 0.0359 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