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
2.9973 0.7305 -0.0998 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8672 -0.1047 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0585 -1.3345 0.4415 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5381 0.3640 0.0931 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5699 -0.5256 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8781 0.1301 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7679 -0.3050 -0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9797 1.7417 0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8746 0.2795 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3358 1.3502 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4492 -0.9582 1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5311 -1.3548 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1610 0.9774 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7564 0.1614 -0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5374 -1.1520 -1.2855 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