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
2.5470 0.8373 0.1339 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3160 0.1676 0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9030 0.1763 1.6805 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -0.5194 -0.4767 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6743 -1.1762 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7733 -0.3512 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8150 0.9270 0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6299 1.8574 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3793 0.2988 -0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9246 -0.5045 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5453 -2.0292 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0757 -1.6846 -1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6850 -0.9315 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6923 1.3912 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9758 1.5410 0.3259 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