2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde

C11H16O — CID 121217383

IUPAC2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde
SMILESC=CCC1(C=O)CC2CCC1C2
InChIInChI=1S/C11H16O/c1-2-5-11(8-12)7-9-3-4-10(11)6-9/h2,8-10H,1,3-7H2
InChIKeySCYLMNLLKSEHII-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds3

About 2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde

2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde (PubChem CID 121217383) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde.

Molecular Properties

Compound Name2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde
PubChem CID121217383
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde
SMILESC=CCC1(C=O)CC2CCC1C2
InChIInChI=1S/C11H16O/c1-2-5-11(8-12)7-9-3-4-10(11)6-9/h2,8-10H,1,3-7H2
InChIKeySCYLMNLLKSEHII-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.57
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 2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde?
The IUPAC name of 2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde (CID 121217383) is 2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde.
What is the SMILES notation for 2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde?
The canonical SMILES for 2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde is C=CCC1(C=O)CC2CCC1C2.
What is the InChIKey of 2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde?
The InChIKey is SCYLMNLLKSEHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-5-11(8-12)7-9-3-4-10(11)6-9/h2,8-10H,1,3-7H2.
What are the key properties of 2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde?
2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde has a molecular weight of 164.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylbicyclo[2.2.1]heptane-2-carbaldehyde is sourced from PubChem (CID 121217383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).