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

C11H17NO — CID 21416502

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H17NO/c1-12(2)7-11(13)10-6-8-3-4-9(10)5-8/h3-4,8-10H,5-7H2,1-2H3
InChIKeyFQURSEGHPNHAAH-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.33
Rot. Bonds3

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

1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone (PubChem CID 21416502) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone
PubChem CID21416502
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)C1CC2C=CC1C2
InChIInChI=1S/C11H17NO/c1-12(2)7-11(13)10-6-8-3-4-9(10)5-8/h3-4,8-10H,5-7H2,1-2H3
InChIKeyFQURSEGHPNHAAH-UHFFFAOYSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone (CID 21416502) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone is CN(C)CC(=O)C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone?
The InChIKey is FQURSEGHPNHAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12(2)7-11(13)10-6-8-3-4-9(10)5-8/h3-4,8-10H,5-7H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone?
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-(dimethylamino)ethanone has a molecular weight of 179.26 g/mol, XLogP of 1.33, 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-5-enyl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 21416502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).