Monomers
n-Propylacrylamide
Identifiers
IUPAC name
N-propylprop-2-enamide
InchI
InChI=1S/C6H11NO/c1-3-5-7-6(8)4-2/h4H,2-3,5H2,1H3,(H,7,8)
InchI Key
WDFKEEALECCKTJ-UHFFFAOYSA-N
SMILES
CCCNC(=O)C=C
Canonical SMILES
CCCNC(=O)C=C
Isomeric SMILES
CCCNC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H11NO
Heavy Atom Count
8
Molecular Weight
113.16
Exact Molecular Weight
113.0841
Valence Electrons
46
Radical Electrons
0
tPSA
29.1
MolLogP
0.6986
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
19 18 0 0 0 0 0 0 0 0999 V2000
-2.5873 0.9626 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2670 -0.5060 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9101 -0.7419 0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1534 -0.1520 -0.2041 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4827 -0.3044 0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7443 -0.9250 1.3316 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5845 0.2823 -0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8290 0.1632 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3644 1.5356 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6722 1.0452 -0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0603 1.3656 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3400 -0.9682 -1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0128 -0.9480 0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7722 -1.8502 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9018 -0.3893 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0320 0.3619 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3894 0.8187 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1255 -0.3548 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6112 0.6047 -0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
7 17 1 0
8 18 1 0
8 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers