2-but-3-en-2-ylbicyclo[2.2.1]heptane

C11H18 — CID 565373

IUPAC2-but-3-en-2-ylbicyclo[2.2.1]heptane
SMILESC=CC(C)C1CC2CCC1C2
InChIInChI=1S/C11H18/c1-3-8(2)11-7-9-4-5-10(11)6-9/h3,8-11H,1,4-7H2,2H3
InChIKeyWQXVVZSHNNEYJB-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.24
Rot. Bonds2

About 2-but-3-en-2-ylbicyclo[2.2.1]heptane

2-but-3-en-2-ylbicyclo[2.2.1]heptane (PubChem CID 565373) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-but-3-en-2-ylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-but-3-en-2-ylbicyclo[2.2.1]heptane
PubChem CID565373
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-but-3-en-2-ylbicyclo[2.2.1]heptane
SMILESC=CC(C)C1CC2CCC1C2
InChIInChI=1S/C11H18/c1-3-8(2)11-7-9-4-5-10(11)6-9/h3,8-11H,1,4-7H2,2H3
InChIKeyWQXVVZSHNNEYJB-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.24
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-but-3-en-2-ylbicyclo[2.2.1]heptane?
The IUPAC name of 2-but-3-en-2-ylbicyclo[2.2.1]heptane (CID 565373) is 2-but-3-en-2-ylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-but-3-en-2-ylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-but-3-en-2-ylbicyclo[2.2.1]heptane is C=CC(C)C1CC2CCC1C2.
What is the InChIKey of 2-but-3-en-2-ylbicyclo[2.2.1]heptane?
The InChIKey is WQXVVZSHNNEYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-8(2)11-7-9-4-5-10(11)6-9/h3,8-11H,1,4-7H2,2H3.
What are the key properties of 2-but-3-en-2-ylbicyclo[2.2.1]heptane?
2-but-3-en-2-ylbicyclo[2.2.1]heptane has a molecular weight of 150.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-ylbicyclo[2.2.1]heptane is sourced from PubChem (CID 565373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).