5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene

C13H20 — CID 173415294

IUPAC5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene
SMILESC=C(C)C.CC=C1CC2C=CC1C2
InChIInChI=1S/C9H12.C4H8/c1-2-8-5-7-3-4-9(8)6-7;1-4(2)3/h2-4,7,9H,5-6H2,1H3;1H2,2-3H3
InChIKeyPFOWVDYCSHJPDL-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.11
Rot. Bonds

About 5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene

5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene (PubChem CID 173415294) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene.

Molecular Properties

Compound Name5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene
PubChem CID173415294
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene
SMILESC=C(C)C.CC=C1CC2C=CC1C2
InChIInChI=1S/C9H12.C4H8/c1-2-8-5-7-3-4-9(8)6-7;1-4(2)3/h2-4,7,9H,5-6H2,1H3;1H2,2-3H3
InChIKeyPFOWVDYCSHJPDL-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.11
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 5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene?
The IUPAC name of 5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene (CID 173415294) is 5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene.
What is the SMILES notation for 5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene?
The canonical SMILES for 5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene is C=C(C)C.CC=C1CC2C=CC1C2.
What is the InChIKey of 5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene?
The InChIKey is PFOWVDYCSHJPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C4H8/c1-2-8-5-7-3-4-9(8)6-7;1-4(2)3/h2-4,7,9H,5-6H2,1H3;1H2,2-3H3.
What are the key properties of 5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene?
5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene has a molecular weight of 176.30 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene is sourced from PubChem (CID 173415294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).