cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene

C14H20 — CID 174872348

IUPACcyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene
SMILESC1=CCCC1.C=CC12C=CC(CC1)C2
InChIInChI=1S/C9H12.C5H8/c1-2-9-5-3-8(7-9)4-6-9;1-2-4-5-3-1/h2-3,5,8H,1,4,6-7H2;1-2H,3-5H2
InChIKeyBYZFVELKWRTYMN-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.26
Rot. Bonds1

About cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene

cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene (PubChem CID 174872348) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Namecyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene
PubChem CID174872348
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Namecyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene
SMILESC1=CCCC1.C=CC12C=CC(CC1)C2
InChIInChI=1S/C9H12.C5H8/c1-2-9-5-3-8(7-9)4-6-9;1-2-4-5-3-1/h2-3,5,8H,1,4,6-7H2;1-2H,3-5H2
InChIKeyBYZFVELKWRTYMN-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene (CID 174872348) is cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene is C1=CCCC1.C=CC12C=CC(CC1)C2.
What is the InChIKey of cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene?
The InChIKey is BYZFVELKWRTYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C5H8/c1-2-9-5-3-8(7-9)4-6-9;1-2-4-5-3-1/h2-3,5,8H,1,4,6-7H2;1-2H,3-5H2.
What are the key properties of cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene?
cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene has a molecular weight of 188.31 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentene;1-ethenylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 174872348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).