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
2.7467 0.8308 -0.0808 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5783 0.1015 0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4169 -0.3439 1.4062 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5794 -0.1343 -0.7316 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6201 -0.8900 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3528 -0.2004 0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6137 0.2239 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2126 0.8080 -1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1510 1.4237 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7502 0.2503 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3844 -1.9331 -0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2825 -0.9147 -1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 -0.0172 1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1292 0.0692 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1600 0.7261 1.3473 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