bicyclo[2.2.1]hepta-2,5-diene

C7H8 — CID 8473

IUPACbicyclo[2.2.1]hepta-2,5-diene
SMILESC1=CC2C=CC1C2
InChIInChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2
InChIKeySJYNFBVQFBRSIB-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.75
Rot. Bonds

About bicyclo[2.2.1]hepta-2,5-diene

bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 8473) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene
PubChem CID8473
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene
SMILESC1=CC2C=CC1C2
InChIInChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2
InChIKeySJYNFBVQFBRSIB-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Norbornene
CID 10352
Norbornene
CID 638051
3-Methylcyclopentene
CID 14263
3-Methylcyclohexene
CID 11573
[(2,3,5,6-eta)-Bicyclo[2.2.1]hepta-2,5-diene]dichloropalladium
CID 11346242
Bicyclo[2.1.1]hex-2-ene
CID 136648
3,5-Dimethylcyclopentene
CID 522549
3-Vinyl-1-cyclohexene
CID 522623
(r)-3-Methyl-cyclohexene
CID 638077
(A+/-)-3-methyl-cyclohexene
CID 12382513
Cyclopentene, 3-ethenyl-
CID 556303
Bicyclo[2.2.1]hepta-2,5-diene;palladium(2+);dichloride
CID 114602

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene (CID 8473) is bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene is C1=CC2C=CC1C2.
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is SJYNFBVQFBRSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2.
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene?
bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 92.14 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 8473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).