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
2.4936 0.4496 0.6786 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3443 0.1358 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1628 0.6499 -1.2486 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3856 -0.7692 0.4374 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8149 -1.1484 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7420 -0.0408 -0.5292 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6168 1.2184 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4951 1.0381 1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4096 0.0584 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5846 -1.1707 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3479 -1.9321 0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5488 -1.6409 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6497 -0.3343 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3863 1.9179 -0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7694 1.5682 0.3659 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