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
3.0392 -0.1474 0.3573 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8472 0.1037 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9448 0.6863 -1.4882 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5545 -0.2515 0.1072 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5911 0.0639 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8661 -0.3693 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8590 0.4305 0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3671 0.4750 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5954 -0.9827 0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4989 -0.7232 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5791 1.1562 -0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4868 -0.5138 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9575 -1.4247 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7388 0.0159 0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7688 1.4811 0.0054 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