1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone

C10H14O — CID 45085861

IUPAC1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
SMILESCC(=O)C1CC2C=CC1(C)C2
InChIInChI=1S/C10H14O/c1-7(11)9-5-8-3-4-10(9,2)6-8/h3-4,8-9H,5-6H2,1-2H3
InChIKeyGRKWTAYGOAOMPK-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds1

About 1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone

1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone (PubChem CID 45085861) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
PubChem CID45085861
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
SMILESCC(=O)C1CC2C=CC1(C)C2
InChIInChI=1S/C10H14O/c1-7(11)9-5-8-3-4-10(9,2)6-8/h3-4,8-9H,5-6H2,1-2H3
InChIKeyGRKWTAYGOAOMPK-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
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-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone?
The IUPAC name of 1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone (CID 45085861) is 1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone.
What is the SMILES notation for 1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone?
The canonical SMILES for 1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone is CC(=O)C1CC2C=CC1(C)C2.
What is the InChIKey of 1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone?
The InChIKey is GRKWTAYGOAOMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7(11)9-5-8-3-4-10(9,2)6-8/h3-4,8-9H,5-6H2,1-2H3.
What are the key properties of 1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone?
1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone has a molecular weight of 150.22 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone is sourced from PubChem (CID 45085861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).