1-prop-2-enylbicyclo[2.2.1]hept-2-ene

C10H14 — CID 22140151

IUPAC1-prop-2-enylbicyclo[2.2.1]hept-2-ene
SMILESC=CCC12C=CC(CC1)C2
InChIInChI=1S/C10H14/c1-2-5-10-6-3-9(8-10)4-7-10/h2-3,6,9H,1,4-5,7-8H2
InChIKeyKKNVNOMVBMXQJP-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds2

About 1-prop-2-enylbicyclo[2.2.1]hept-2-ene

1-prop-2-enylbicyclo[2.2.1]hept-2-ene (PubChem CID 22140151) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-prop-2-enylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-prop-2-enylbicyclo[2.2.1]hept-2-ene
PubChem CID22140151
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-prop-2-enylbicyclo[2.2.1]hept-2-ene
SMILESC=CCC12C=CC(CC1)C2
InChIInChI=1S/C10H14/c1-2-5-10-6-3-9(8-10)4-7-10/h2-3,6,9H,1,4-5,7-8H2
InChIKeyKKNVNOMVBMXQJP-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
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 1-prop-2-enylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-prop-2-enylbicyclo[2.2.1]hept-2-ene (CID 22140151) is 1-prop-2-enylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-prop-2-enylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-prop-2-enylbicyclo[2.2.1]hept-2-ene is C=CCC12C=CC(CC1)C2.
What is the InChIKey of 1-prop-2-enylbicyclo[2.2.1]hept-2-ene?
The InChIKey is KKNVNOMVBMXQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-5-10-6-3-9(8-10)4-7-10/h2-3,6,9H,1,4-5,7-8H2.
What are the key properties of 1-prop-2-enylbicyclo[2.2.1]hept-2-ene?
1-prop-2-enylbicyclo[2.2.1]hept-2-ene has a molecular weight of 134.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22140151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).