bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene

C15H20 — CID 159756335

IUPACbicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene
SMILESC1=CC2C=CC1C2.C=CC1C=CC(C)C1
InChIInChI=1S/C8H12.C7H8/c1-3-8-5-4-7(2)6-8;1-2-7-4-3-6(1)5-7/h3-5,7-8H,1,6H2,2H3;1-4,6-7H,5H2
InChIKeyNEHSHFFHOGACME-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.13
Rot. Bonds1

About bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene

bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene (PubChem CID 159756335) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene
PubChem CID159756335
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene
SMILESC1=CC2C=CC1C2.C=CC1C=CC(C)C1
InChIInChI=1S/C8H12.C7H8/c1-3-8-5-4-7(2)6-8;1-2-7-4-3-6(1)5-7/h3-5,7-8H,1,6H2,2H3;1-4,6-7H,5H2
InChIKeyNEHSHFFHOGACME-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.13
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

(3R,5S)-3,5-bis(ethenyl)cyclopentene
CID 54522339
3-ethenyl-5-propylcyclopentene
CID 146962061
bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene
CID 167623145
bicyclo[2.2.1]hepta-2,5-diene;(3Z)-3-ethylidene-5-methylcyclopentene;methane
CID 165090077
3-ethenyl-4-methylcyclopentene
CID 143683311
(4-methylcyclopent-2-en-1-yl)iodanium
CID 171633953
bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum
CID 170920471
bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium
CID 19690374
3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene
CID 157050513
(5R)-3,5-dimethylcyclohexene
CID 142981274
actinium;4-methylcyclopent-2-en-1-ol
CID 20708728
bis(bicyclo[2.2.1]hepta-2,5-diene);rhodium;perchlorate
CID 10927170

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene (CID 159756335) is bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene is C1=CC2C=CC1C2.C=CC1C=CC(C)C1.
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene?
The InChIKey is NEHSHFFHOGACME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C7H8/c1-3-8-5-4-7(2)6-8;1-2-7-4-3-6(1)5-7/h3-5,7-8H,1,6H2,2H3;1-4,6-7H,5H2.
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene?
bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene has a molecular weight of 200.32 g/mol, XLogP of 4.13, 1 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;3-ethenyl-5-methylcyclopentene is sourced from PubChem (CID 159756335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).