1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone

C16H21NO — CID 19006318

IUPAC1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
SMILESCC(=O)C1C(c2ccccc2)CC2CCC1N2C
InChIInChI=1S/C16H21NO/c1-11(18)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)17(13)2/h3-7,13-16H,8-10H2,1-2H3
InChIKeyIXBQQRJVGUUKAO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.84
Rot. Bonds2

About 1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone

1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone (PubChem CID 19006318) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone.

Molecular Properties

Compound Name1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
PubChem CID19006318
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
SMILESCC(=O)C1C(c2ccccc2)CC2CCC1N2C
InChIInChI=1S/C16H21NO/c1-11(18)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)17(13)2/h3-7,13-16H,8-10H2,1-2H3
InChIKeyIXBQQRJVGUUKAO-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone?
The IUPAC name of 1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone (CID 19006318) is 1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone.
What is the SMILES notation for 1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone?
The canonical SMILES for 1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone is CC(=O)C1C(c2ccccc2)CC2CCC1N2C.
What is the InChIKey of 1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone?
The InChIKey is IXBQQRJVGUUKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11(18)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)17(13)2/h3-7,13-16H,8-10H2,1-2H3.
What are the key properties of 1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone?
1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone has a molecular weight of 243.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone is sourced from PubChem (CID 19006318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).