2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone

C17H19NO — CID 4879894

IUPAC2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CC2C=CC1C2)N1CCCc2ccccc21
InChIInChI=1S/C17H19NO/c19-17(15-11-12-7-8-14(15)10-12)18-9-3-5-13-4-1-2-6-16(13)18/h1-2,4,6-8,12,14-15H,3,5,9-11H2
InChIKeyLVKMMZWHHZLKIW-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.18
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone

2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 4879894) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID4879894
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CC2C=CC1C2)N1CCCc2ccccc21
InChIInChI=1S/C17H19NO/c19-17(15-11-12-7-8-14(15)10-12)18-9-3-5-13-4-1-2-6-16(13)18/h1-2,4,6-8,12,14-15H,3,5,9-11H2
InChIKeyLVKMMZWHHZLKIW-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.18
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 2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 4879894) is 2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(C1CC2C=CC1C2)N1CCCc2ccccc21.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is LVKMMZWHHZLKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17(15-11-12-7-8-14(15)10-12)18-9-3-5-13-4-1-2-6-16(13)18/h1-2,4,6-8,12,14-15H,3,5,9-11H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone?
2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 253.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 4879894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).