Monomers
2-Methyleneglutaronitrile
Identifiers
IUPAC name
2-methylidenepentanedinitrile
InchI
InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2
InchI Key
NGCJVMZXRCLPRQ-UHFFFAOYSA-N
SMILES
N#CCCC(=C)C#N
Canonical SMILES
C=C(CCC#N)C#N
Isomeric SMILES
C=C(CCC#N)C#N
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H6N2
Heavy Atom Count
8
Molecular Weight
106.128
Exact Molecular Weight
106.0531
Valence Electrons
40
Radical Electrons
0
tPSA
47.58
MolLogP
1.37
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
14 13 0 0 0 0 0 0 0 0999 V2000
-3.7202 0.4635 0.0506 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6216 0.1110 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 -0.3080 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3236 0.3574 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0761 -0.0787 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9745 0.8470 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4475 -1.4522 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7665 -2.5569 -0.6312 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8615 0.0463 1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1550 -1.3926 0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4429 1.4491 -0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6776 0.0344 -1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7376 1.8914 -0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0321 0.5884 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 3 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 3
5 7 1 0
7 8 3 0
3 9 1 0
3 10 1 0
4 11 1 0
4 12 1 0
6 13 1 0
6 14 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers