Monomers
2,5-Norbornadiene
Identifiers
IUPAC name
bicyclo[2.2.1]hepta-2,5-diene
InchI
InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2
InchI Key
SJYNFBVQFBRSIB-UHFFFAOYSA-N
SMILES
C1=CC2CC1C=C2
Canonical SMILES
C1C2C=CC1C=C2
Isomeric SMILES
C1C2C=CC1C=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H8
Heavy Atom Count
7
Molecular Weight
92.141
Exact Molecular Weight
92.0626
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
1.7485
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
2
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0
MOL File
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
-0.8421 1.1296 -0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2694 1.4231 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8153 0.1729 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5264 -0.5408 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9902 -0.3469 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2147 -0.9367 -1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2840 -0.6515 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4588 1.8754 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7036 2.4064 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4417 0.2730 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1396 0.0165 1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3856 -1.5989 1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9202 -0.7678 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2382 -1.4985 -2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2961 -0.9559 -0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
5 1 1 0
7 3 1 0
1 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
4 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers