bicyclo[2.2.1]hepta-1,3-diene

C14H16 — CID 158447472

IUPACbicyclo[2.2.1]hepta-1,3-diene
SMILESC1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2
InChIInChI=1S/2C7H8/c2*1-2-7-4-3-6(1)5-7/h2*1-2H,3-5H2
InChIKeyHDOIZVSJCLVDSY-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.07
Rot. Bonds

About bicyclo[2.2.1]hepta-1,3-diene

bicyclo[2.2.1]hepta-1,3-diene (PubChem CID 158447472) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-1,3-diene.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-1,3-diene
PubChem CID158447472
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Namebicyclo[2.2.1]hepta-1,3-diene
SMILESC1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2
InChIInChI=1S/2C7H8/c2*1-2-7-4-3-6(1)5-7/h2*1-2H,3-5H2
InChIKeyHDOIZVSJCLVDSY-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-1,3-diene?
The IUPAC name of bicyclo[2.2.1]hepta-1,3-diene (CID 158447472) is bicyclo[2.2.1]hepta-1,3-diene.
What is the SMILES notation for bicyclo[2.2.1]hepta-1,3-diene?
The canonical SMILES for bicyclo[2.2.1]hepta-1,3-diene is C1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.
What is the InChIKey of bicyclo[2.2.1]hepta-1,3-diene?
The InChIKey is HDOIZVSJCLVDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8/c2*1-2-7-4-3-6(1)5-7/h2*1-2H,3-5H2.
What are the key properties of bicyclo[2.2.1]hepta-1,3-diene?
bicyclo[2.2.1]hepta-1,3-diene has a molecular weight of 184.28 g/mol, XLogP of 4.07, 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-1,3-diene is sourced from PubChem (CID 158447472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).