bicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene

C12H14 — CID 18006657

IUPACbicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene
SMILESC1=C2CCC(=C1)C2.C1=CCC=C1
InChIInChI=1S/C7H8.C5H6/c1-2-7-4-3-6(1)5-7;1-2-4-5-3-1/h1-2H,3-5H2;1-4H,5H2
InChIKeyIORYZIHFSADBPX-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.54
Rot. Bonds

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

bicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene (PubChem CID 18006657) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene
PubChem CID18006657
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Namebicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene
SMILESC1=C2CCC(=C1)C2.C1=CCC=C1
InChIInChI=1S/C7H8.C5H6/c1-2-7-4-3-6(1)5-7;1-2-4-5-3-1/h1-2H,3-5H2;1-4H,5H2
InChIKeyIORYZIHFSADBPX-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.54
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;cyclopenta-1,3-diene?
The IUPAC name of bicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene (CID 18006657) is bicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene.
What is the SMILES notation for bicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene?
The canonical SMILES for bicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene is C1=C2CCC(=C1)C2.C1=CCC=C1.
What is the InChIKey of bicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene?
The InChIKey is IORYZIHFSADBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H6/c1-2-7-4-3-6(1)5-7;1-2-4-5-3-1/h1-2H,3-5H2;1-4H,5H2.
What are the key properties of bicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene?
bicyclo[2.2.1]hepta-1,3-diene;cyclopenta-1,3-diene has a molecular weight of 158.24 g/mol, XLogP of 3.54, 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;cyclopenta-1,3-diene is sourced from PubChem (CID 18006657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).