9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone

C17H23NO — CID 171944685

IUPAC9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)C2CC3CCCC(C2)N3)cc1
InChIInChI=1S/C17H23NO/c1-2-12-6-8-13(9-7-12)17(19)14-10-15-4-3-5-16(11-14)18-15/h6-9,14-16,18H,2-5,10-11H2,1H3
InChIKeySHHTXOJFDACHKX-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.35
Rot. Bonds3

About 9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone

9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone (PubChem CID 171944685) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone
PubChem CID171944685
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)C2CC3CCCC(C2)N3)cc1
InChIInChI=1S/C17H23NO/c1-2-12-6-8-13(9-7-12)17(19)14-10-15-4-3-5-16(11-14)18-15/h6-9,14-16,18H,2-5,10-11H2,1H3
InChIKeySHHTXOJFDACHKX-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone
CID 116576133
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487
8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone
CID 171941310
8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone
CID 171946208
9-azabicyclo[3.3.1]nonan-3-yl-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methanone
CID 171939607
3-(4-ethylbenzoyl)cyclopentan-1-one
CID 79639553
9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone
CID 171945695
9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone
CID 171946068
2-[4-(9-azabicyclo[3.3.1]nonane-3-carbonyl)-3-fluorophenyl]acetonitrile
CID 171940007
9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 171945869
4-(9-azabicyclo[3.3.1]nonane-3-carbonyl)-3-methylbenzonitrile
CID 171946293
9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
CID 171943405

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone (CID 171944685) is 9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone is CCc1ccc(C(=O)C2CC3CCCC(C2)N3)cc1.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone?
The InChIKey is SHHTXOJFDACHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-12-6-8-13(9-7-12)17(19)14-10-15-4-3-5-16(11-14)18-15/h6-9,14-16,18H,2-5,10-11H2,1H3.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone?
9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone has a molecular weight of 257.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone is sourced from PubChem (CID 171944685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).