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

C11H18 — CID 141329394

IUPAC1-but-2-en-2-ylbicyclo[2.2.1]heptane
SMILESCC=C(C)C12CCC(CC1)C2
InChIInChI=1S/C11H18/c1-3-9(2)11-6-4-10(8-11)5-7-11/h3,10H,4-8H2,1-2H3
InChIKeyGMVNJRRTPLASPF-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.53
Rot. Bonds1

About 1-but-2-en-2-ylbicyclo[2.2.1]heptane

1-but-2-en-2-ylbicyclo[2.2.1]heptane (PubChem CID 141329394) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is 1-but-2-en-2-ylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-but-2-en-2-ylbicyclo[2.2.1]heptane
PubChem CID141329394
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name1-but-2-en-2-ylbicyclo[2.2.1]heptane
SMILESCC=C(C)C12CCC(CC1)C2
InChIInChI=1S/C11H18/c1-3-9(2)11-6-4-10(8-11)5-7-11/h3,10H,4-8H2,1-2H3
InChIKeyGMVNJRRTPLASPF-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.53
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-but-2-en-2-ylbicyclo[2.2.1]heptane?
The IUPAC name of 1-but-2-en-2-ylbicyclo[2.2.1]heptane (CID 141329394) is 1-but-2-en-2-ylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1-but-2-en-2-ylbicyclo[2.2.1]heptane?
The canonical SMILES for 1-but-2-en-2-ylbicyclo[2.2.1]heptane is CC=C(C)C12CCC(CC1)C2.
What is the InChIKey of 1-but-2-en-2-ylbicyclo[2.2.1]heptane?
The InChIKey is GMVNJRRTPLASPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-9(2)11-6-4-10(8-11)5-7-11/h3,10H,4-8H2,1-2H3.
What are the key properties of 1-but-2-en-2-ylbicyclo[2.2.1]heptane?
1-but-2-en-2-ylbicyclo[2.2.1]heptane has a molecular weight of 150.27 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-ylbicyclo[2.2.1]heptane is sourced from PubChem (CID 141329394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).