8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one

C17H23NO — CID 62740494

IUPAC8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(C)c1ccc(CN2C3CCC2CC(=O)C3)cc1
InChIInChI=1S/C17H23NO/c1-12(2)14-5-3-13(4-6-14)11-18-15-7-8-16(18)10-17(19)9-15/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyLZLCNHPWMGWFLH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.51
Rot. Bonds3

About 8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one

8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62740494) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62740494
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(C)c1ccc(CN2C3CCC2CC(=O)C3)cc1
InChIInChI=1S/C17H23NO/c1-12(2)14-5-3-13(4-6-14)11-18-15-7-8-16(18)10-17(19)9-15/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyLZLCNHPWMGWFLH-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one (CID 62740494) is 8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one is CC(C)c1ccc(CN2C3CCC2CC(=O)C3)cc1.
What is the InChIKey of 8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is LZLCNHPWMGWFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12(2)14-5-3-13(4-6-14)11-18-15-7-8-16(18)10-17(19)9-15/h3-6,12,15-16H,7-11H2,1-2H3.
What are the key properties of 8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 257.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-propan-2-ylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62740494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).