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

C17H19NO — CID 11921007

IUPAC[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C([C@H]1C[C@@H]2C=C[C@H]1C2)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/t12-,14+,15+/m1/s1
InChIKeyLVKMMZWHHZLKIW-SNPRPXQTSA-N
MW253.34 g/mol
LogP3.18
Rot. Bonds1

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

[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 11921007) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID11921007
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C([C@H]1C[C@@H]2C=C[C@H]1C2)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/t12-,14+,15+/m1/s1
InChIKeyLVKMMZWHHZLKIW-SNPRPXQTSA-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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Related Compounds

2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215258
(1R,2S,3S,4S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 40555350
(1S,2R,3S,4R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100810787
(1R,6S)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 1225798
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 109141427
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141468
N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141456
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 11921007) is [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N1CCCc2ccccc21.
What is the InChIKey of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is LVKMMZWHHZLKIW-SNPRPXQTSA-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/t12-,14+,15+/m1/s1.
What are the key properties of [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[(1R,2S,4R)-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 [(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 11921007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).