bicyclo[5.1.0]octa-1(7),2-diene

C8H10 — CID 123578884

IUPACbicyclo[5.1.0]octa-1(7),2-diene
SMILESC1=CC2=C(CCC1)C2
InChIInChI=1S/C8H10/c1-2-4-7-6-8(7)5-3-1/h2,4H,1,3,5-6H2
InChIKeyCUDCEDZFTNTYRW-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.43
Rot. Bonds

About bicyclo[5.1.0]octa-1(7),2-diene

bicyclo[5.1.0]octa-1(7),2-diene (PubChem CID 123578884) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is bicyclo[5.1.0]octa-1(7),2-diene.

Molecular Properties

Compound Namebicyclo[5.1.0]octa-1(7),2-diene
PubChem CID123578884
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Namebicyclo[5.1.0]octa-1(7),2-diene
SMILESC1=CC2=C(CCC1)C2
InChIInChI=1S/C8H10/c1-2-4-7-6-8(7)5-3-1/h2,4H,1,3,5-6H2
InChIKeyCUDCEDZFTNTYRW-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2,3,4,5,7-hexahydrobenzo[7]annulen-6-one
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cyclohex-2-en-1-one;dihydrochloride
CID 21391808
CID 68518361
CID 68518361
1,2,3,4,5,6-hexahydrocyclohepta[b]pyrrole
CID 145189631
1,2,3,4,5,6,9,10-octahydrophenanthrene
CID 148687611
3,4,5,6,9,10-hexahydrophenanthrene
CID 123501640
(3E)-3-(chloromethylidene)cyclohexene
CID 10011917
(3E)-cyclododec-3-ene-1,2-dione
CID 14605760
(NZ)-N-cyclohex-2-en-1-ylidenehydroxylamine;hydrochloride
CID 88770127
ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole
CID 143140807
5-cyclopentylidene-7-ethenylidenecyclohepta-1,3-diene
CID 163536405

Frequently Asked Questions

What is the IUPAC name of bicyclo[5.1.0]octa-1(7),2-diene?
The IUPAC name of bicyclo[5.1.0]octa-1(7),2-diene (CID 123578884) is bicyclo[5.1.0]octa-1(7),2-diene.
What is the SMILES notation for bicyclo[5.1.0]octa-1(7),2-diene?
The canonical SMILES for bicyclo[5.1.0]octa-1(7),2-diene is C1=CC2=C(CCC1)C2.
What is the InChIKey of bicyclo[5.1.0]octa-1(7),2-diene?
The InChIKey is CUDCEDZFTNTYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-2-4-7-6-8(7)5-3-1/h2,4H,1,3,5-6H2.
What are the key properties of bicyclo[5.1.0]octa-1(7),2-diene?
bicyclo[5.1.0]octa-1(7),2-diene has a molecular weight of 106.17 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.1.0]octa-1(7),2-diene is sourced from PubChem (CID 123578884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).