7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone

C15H19NO — CID 116576133

IUPAC7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)C2CC3CCC2N3)cc1
InChIInChI=1S/C15H19NO/c1-2-10-3-5-11(6-4-10)15(17)13-9-12-7-8-14(13)16-12/h3-6,12-14,16H,2,7-9H2,1H3
InChIKeyBTLYZISTJZPBGY-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.57
Rot. Bonds3

About 7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone

7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone (PubChem CID 116576133) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone
PubChem CID116576133
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)C2CC3CCC2N3)cc1
InChIInChI=1S/C15H19NO/c1-2-10-3-5-11(6-4-10)15(17)13-9-12-7-8-14(13)16-12/h3-6,12-14,16H,2,7-9H2,1H3
InChIKeyBTLYZISTJZPBGY-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone
CID 171944685
7-azabicyclo[2.2.1]heptan-2-yl-(3,4-dimethoxyphenyl)methanone
CID 116575997
7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone
CID 116575868
trans-(1R,2R)-2-(4-ethylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722438
7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone
CID 116575878
7-azabicyclo[2.2.1]heptan-2-yl-(2,3,4-trifluorophenyl)methanone
CID 116576075
7-azabicyclo[2.2.1]heptan-2-yl(cyclohexen-1-yl)methanone
CID 106655380
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 116575873
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-ethylphenyl)furan-2-carboxamide
CID 70028089
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 116576079
(4-ethylphenyl)-(2-phenylcyclohexyl)methanone
CID 144802014

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone (CID 116576133) is 7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone is CCc1ccc(C(=O)C2CC3CCC2N3)cc1.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone?
The InChIKey is BTLYZISTJZPBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-10-3-5-11(6-4-10)15(17)13-9-12-7-8-14(13)16-12/h3-6,12-14,16H,2,7-9H2,1H3.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone?
7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone has a molecular weight of 229.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone is sourced from PubChem (CID 116576133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).