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
2.9748 0.3961 -0.3988 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7565 -0.3398 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6859 -1.3900 -1.2001 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5821 0.1096 0.1723 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6526 -0.6578 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6859 0.0266 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7779 0.4710 0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6782 0.3087 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1778 1.0056 0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6548 0.9810 0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5030 -1.6827 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8875 -0.7027 -1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5387 0.1585 1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9158 0.3317 -0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5487 0.9843 0.8734 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