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
2.5408 -0.2169 -1.3475 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4914 -0.3666 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2608 -1.4779 0.1343 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6654 0.7289 -0.0385 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3790 0.5325 0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3773 -0.4856 0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6381 -0.1479 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7333 0.6995 -1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1251 -1.0358 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8291 1.6575 -0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9111 1.4785 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0121 0.1633 1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0718 -1.5006 0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9393 0.8659 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3413 -0.8947 -0.0165 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