1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone

C11H14O2 — CID 174635346

IUPAC1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone
SMILESO=C(CC1CO1)C1CC2=CCC1C2
InChIInChI=1S/C11H14O2/c12-11(5-9-6-13-9)10-4-7-1-2-8(10)3-7/h1,8-10H,2-6H2
InChIKeyCWMIWOPRJMIVRC-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone

1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone (PubChem CID 174635346) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone
PubChem CID174635346
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone
SMILESO=C(CC1CO1)C1CC2=CCC1C2
InChIInChI=1S/C11H14O2/c12-11(5-9-6-13-9)10-4-7-1-2-8(10)3-7/h1,8-10H,2-6H2
InChIKeyCWMIWOPRJMIVRC-UHFFFAOYSA-N
XLogP1.70
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone (CID 174635346) is 1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone is O=C(CC1CO1)C1CC2=CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone?
The InChIKey is CWMIWOPRJMIVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-11(5-9-6-13-9)10-4-7-1-2-8(10)3-7/h1,8-10H,2-6H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone?
1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone has a molecular weight of 178.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-4-enyl)-2-(oxiran-2-yl)ethanone is sourced from PubChem (CID 174635346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).