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

C10H14 — CID 22988542

IUPAC2-prop-2-enylbicyclo[2.2.1]hept-1-ene
SMILESC=CCC1=C2CCC(C1)C2
InChIInChI=1S/C10H14/c1-2-3-9-6-8-4-5-10(9)7-8/h2,8H,1,3-7H2
InChIKeyMUNMXOQBHITLJX-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.06
Rot. Bonds2

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

2-prop-2-enylbicyclo[2.2.1]hept-1-ene (PubChem CID 22988542) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 2-prop-2-enylbicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2-prop-2-enylbicyclo[2.2.1]hept-1-ene
PubChem CID22988542
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name2-prop-2-enylbicyclo[2.2.1]hept-1-ene
SMILESC=CCC1=C2CCC(C1)C2
InChIInChI=1S/C10H14/c1-2-3-9-6-8-4-5-10(9)7-8/h2,8H,1,3-7H2
InChIKeyMUNMXOQBHITLJX-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
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 2-prop-2-enylbicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2-prop-2-enylbicyclo[2.2.1]hept-1-ene (CID 22988542) is 2-prop-2-enylbicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2-prop-2-enylbicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2-prop-2-enylbicyclo[2.2.1]hept-1-ene is C=CCC1=C2CCC(C1)C2.
What is the InChIKey of 2-prop-2-enylbicyclo[2.2.1]hept-1-ene?
The InChIKey is MUNMXOQBHITLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-9-6-8-4-5-10(9)7-8/h2,8H,1,3-7H2.
What are the key properties of 2-prop-2-enylbicyclo[2.2.1]hept-1-ene?
2-prop-2-enylbicyclo[2.2.1]hept-1-ene has a molecular weight of 134.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylbicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 22988542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).