5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde

C11H16O — CID 71327451

IUPAC5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde
SMILESC=C(C)C1CC2CC1CC2C=O
InChIInChI=1S/C11H16O/c1-7(2)11-5-8-3-9(11)4-10(8)6-12/h6,8-11H,1,3-5H2,2H3
InChIKeyJCECIQPBGNXMMF-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.42
Rot. Bonds2

About 5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde

5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde (PubChem CID 71327451) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde.

Molecular Properties

Compound Name5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde
PubChem CID71327451
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde
SMILESC=C(C)C1CC2CC1CC2C=O
InChIInChI=1S/C11H16O/c1-7(2)11-5-8-3-9(11)4-10(8)6-12/h6,8-11H,1,3-5H2,2H3
InChIKeyJCECIQPBGNXMMF-UHFFFAOYSA-N
XLogP2.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde?
The IUPAC name of 5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde (CID 71327451) is 5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde.
What is the SMILES notation for 5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde?
The canonical SMILES for 5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde is C=C(C)C1CC2CC1CC2C=O.
What is the InChIKey of 5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde?
The InChIKey is JCECIQPBGNXMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-7(2)11-5-8-3-9(11)4-10(8)6-12/h6,8-11H,1,3-5H2,2H3.
What are the key properties of 5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde?
5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde has a molecular weight of 164.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde is sourced from PubChem (CID 71327451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).