(2R)-2-but-1-enylbicyclo[2.2.1]heptane

C11H18 — CID 173350379

IUPAC(2R)-2-but-1-enylbicyclo[2.2.1]heptane
SMILESCCC=C[C@@H]1CC2CCC1C2
InChIInChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h3-4,9-11H,2,5-8H2,1H3/t9?,10-,11?/m1/s1
InChIKeyTYCKFSYHEUBYBD-HSOILSAZSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds2

About (2R)-2-but-1-enylbicyclo[2.2.1]heptane

(2R)-2-but-1-enylbicyclo[2.2.1]heptane (PubChem CID 173350379) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (2R)-2-but-1-enylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2R)-2-but-1-enylbicyclo[2.2.1]heptane
PubChem CID173350379
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(2R)-2-but-1-enylbicyclo[2.2.1]heptane
SMILESCCC=C[C@@H]1CC2CCC1C2
InChIInChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h3-4,9-11H,2,5-8H2,1H3/t9?,10-,11?/m1/s1
InChIKeyTYCKFSYHEUBYBD-HSOILSAZSA-N
XLogP3.39
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 ≤ 53.39
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 (2R)-2-but-1-enylbicyclo[2.2.1]heptane?
The IUPAC name of (2R)-2-but-1-enylbicyclo[2.2.1]heptane (CID 173350379) is (2R)-2-but-1-enylbicyclo[2.2.1]heptane.
What is the SMILES notation for (2R)-2-but-1-enylbicyclo[2.2.1]heptane?
The canonical SMILES for (2R)-2-but-1-enylbicyclo[2.2.1]heptane is CCC=C[C@@H]1CC2CCC1C2.
What is the InChIKey of (2R)-2-but-1-enylbicyclo[2.2.1]heptane?
The InChIKey is TYCKFSYHEUBYBD-HSOILSAZSA-N. The full InChI is InChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h3-4,9-11H,2,5-8H2,1H3/t9?,10-,11?/m1/s1.
What are the key properties of (2R)-2-but-1-enylbicyclo[2.2.1]heptane?
(2R)-2-but-1-enylbicyclo[2.2.1]heptane has a molecular weight of 150.26 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-but-1-enylbicyclo[2.2.1]heptane is sourced from PubChem (CID 173350379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).