anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone

C22H21NO — CID 171939049

IUPACanthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1c2ccccc2cc2ccccc12)C1CC2CCC(C1)N2
InChIInChI=1S/C22H21NO/c24-22(16-12-17-9-10-18(13-16)23-17)21-19-7-3-1-5-14(19)11-15-6-2-4-8-20(15)21/h1-8,11,16-18,23H,9-10,12-13H2
InChIKeySUAWZDYUUNPDCX-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.71
Rot. Bonds2

About anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone

anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171939049) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Nameanthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171939049
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Nameanthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1c2ccccc2cc2ccccc12)C1CC2CCC(C1)N2
InChIInChI=1S/C22H21NO/c24-22(16-12-17-9-10-18(13-16)23-17)21-19-7-3-1-5-14(19)11-15-6-2-4-8-20(15)21/h1-8,11,16-18,23H,9-10,12-13H2
InChIKeySUAWZDYUUNPDCX-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
CID 171945810
8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone
CID 171949009
8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
CID 171943170
9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone
CID 171945820
8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone
CID 171941830
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
CID 171944750
9-azabicyclo[3.3.1]nonan-3-yl-(2,3,5,6-tetrafluorophenyl)methanone
CID 171941147
8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone
CID 171943519
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(2-methylnaphthalen-1-yl)methanone
CID 171949043
8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone
CID 171944944
9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone
CID 171943255

Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone (CID 171939049) is anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1c2ccccc2cc2ccccc12)C1CC2CCC(C1)N2.
What is the InChIKey of anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is SUAWZDYUUNPDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c24-22(16-12-17-9-10-18(13-16)23-17)21-19-7-3-1-5-14(19)11-15-6-2-4-8-20(15)21/h1-8,11,16-18,23H,9-10,12-13H2.
What are the key properties of anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone?
anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171939049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).