1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone

C14H14O — CID 13440469

IUPAC1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone
SMILESO=C(c1ccccc1)C12C=CC(CC1)C2
InChIInChI=1S/C14H14O/c15-13(12-4-2-1-3-5-12)14-8-6-11(10-14)7-9-14/h1-6,8,11H,7,9-10H2
InChIKeyUCRQYRWPIMZIGZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.23
Rot. Bonds2

About 1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone

1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone (PubChem CID 13440469) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone
PubChem CID13440469
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Name1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone
SMILESO=C(c1ccccc1)C12C=CC(CC1)C2
InChIInChI=1S/C14H14O/c15-13(12-4-2-1-3-5-12)14-8-6-11(10-14)7-9-14/h1-6,8,11H,7,9-10H2
InChIKeyUCRQYRWPIMZIGZ-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone?
The IUPAC name of 1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone (CID 13440469) is 1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone.
What is the SMILES notation for 1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone?
The canonical SMILES for 1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone is O=C(c1ccccc1)C12C=CC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone?
The InChIKey is UCRQYRWPIMZIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c15-13(12-4-2-1-3-5-12)14-8-6-11(10-14)7-9-14/h1-6,8,11H,7,9-10H2.
What are the key properties of 1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone?
1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone has a molecular weight of 198.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone is sourced from PubChem (CID 13440469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).