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
2.9985 -0.1233 -0.3664 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7465 -0.6167 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6454 -1.8260 0.4802 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6008 0.2268 0.0889 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6367 -0.3290 0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7529 0.6712 0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7911 0.3781 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1020 0.6674 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8559 -0.5908 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7479 1.2032 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8644 -1.2230 -0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5128 -0.5725 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6875 1.5941 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8445 -0.5327 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6070 1.0733 -0.3028 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