ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene

C14H22 — CID 86599654

IUPACethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene
SMILESC=C.C=CC.C=CC1CC2C=CC1C2
InChIInChI=1S/C9H12.C3H6.C2H4/c1-2-8-5-7-3-4-9(8)6-7;1-3-2;1-2/h2-4,7-9H,1,5-6H2;3H,1H2,2H3;1-2H2
InChIKeyFIGBAOBNGLBMEK-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.38
Rot. Bonds1

About ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene

ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene (PubChem CID 86599654) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene.

Molecular Properties

Compound Nameethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene
PubChem CID86599654
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nameethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene
SMILESC=C.C=CC.C=CC1CC2C=CC1C2
InChIInChI=1S/C9H12.C3H6.C2H4/c1-2-8-5-7-3-4-9(8)6-7;1-3-2;1-2/h2-4,7-9H,1,5-6H2;3H,1H2,2H3;1-2H2
InChIKeyFIGBAOBNGLBMEK-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.38
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 ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene?
The IUPAC name of ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene (CID 86599654) is ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene.
What is the SMILES notation for ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene?
The canonical SMILES for ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene is C=C.C=CC.C=CC1CC2C=CC1C2.
What is the InChIKey of ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene?
The InChIKey is FIGBAOBNGLBMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C3H6.C2H4/c1-2-8-5-7-3-4-9(8)6-7;1-3-2;1-2/h2-4,7-9H,1,5-6H2;3H,1H2,2H3;1-2H2.
What are the key properties of ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene?
ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene has a molecular weight of 190.33 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-ethenylbicyclo[2.2.1]hept-2-ene;prop-1-ene is sourced from PubChem (CID 86599654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).