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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Related Compounds

4-[(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzoic acid
CID 69152557
2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 58659507
8-benzyl-8-azabicyclo[3.2.1]octan-3-one;8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 159859403
2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid
CID 105346038
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2,4-dione
CID 79516936
8-[2-(4-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
CID 62739073
1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 50903492
2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370725
8-[(1-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 82874575
(3R)-5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 686357
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877
1-[(4-propan-2-ylphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 58659517

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).