bicyclo[5.2.0]non-1-ene

C9H14 — CID 556476

IUPACbicyclo[5.2.0]non-1-ene
SMILESC1=C2CCC2CCCC1
InChIInChI=1S/C9H14/c1-2-4-8-6-7-9(8)5-3-1/h4,9H,1-3,5-7H2
InChIKeyFRZANZPWXCTPDA-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.90
Rot. Bonds

About bicyclo[5.2.0]non-1-ene

bicyclo[5.2.0]non-1-ene (PubChem CID 556476) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is bicyclo[5.2.0]non-1-ene.

Molecular Properties

Compound Namebicyclo[5.2.0]non-1-ene
PubChem CID556476
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Namebicyclo[5.2.0]non-1-ene
SMILESC1=C2CCC2CCCC1
InChIInChI=1S/C9H14/c1-2-4-8-6-7-9(8)5-3-1/h4,9H,1-3,5-7H2
InChIKeyFRZANZPWXCTPDA-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.90
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

(-)-Caryophyllene
CID 5281515
(-)-Isocaryophyllene
CID 5281522
Caryophyllene,alpha + beta mixt.
CID 5354499
(E)-2-epi-beta-caryophyllene
CID 6429274
(+)-beta-Caryophyllene
CID 20831623
(4Z)-4,11,11-trimethyl-8-methylidenebicyclo(7.2.0)undec-4-ene
CID 5322111
Humulen-(v1)
CID 5362885
(Z)-caryophyllene
CID 6429301
4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene
CID 26318
Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-
CID 5452236
Caryophyllene (z-)
CID 5498518
Npc318986
CID 5367602

Frequently Asked Questions

What is the IUPAC name of bicyclo[5.2.0]non-1-ene?
The IUPAC name of bicyclo[5.2.0]non-1-ene (CID 556476) is bicyclo[5.2.0]non-1-ene.
What is the SMILES notation for bicyclo[5.2.0]non-1-ene?
The canonical SMILES for bicyclo[5.2.0]non-1-ene is C1=C2CCC2CCCC1.
What is the InChIKey of bicyclo[5.2.0]non-1-ene?
The InChIKey is FRZANZPWXCTPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-4-8-6-7-9(8)5-3-1/h4,9H,1-3,5-7H2.
What are the key properties of bicyclo[5.2.0]non-1-ene?
bicyclo[5.2.0]non-1-ene has a molecular weight of 122.21 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.2.0]non-1-ene is sourced from PubChem (CID 556476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).