2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone

C17H27NO2 — CID 126824781

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone
SMILESO=C(CC1CC2CCC1C2)N1CC2CCC1C(CO)C2
InChIInChI=1S/C17H27NO2/c19-10-15-7-12-2-4-16(15)18(9-12)17(20)8-14-6-11-1-3-13(14)5-11/h11-16,19H,1-10H2
InChIKeyMSVYKNPOHNHEKD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.43
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone (PubChem CID 126824781) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone
PubChem CID126824781
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone
SMILESO=C(CC1CC2CCC1C2)N1CC2CCC1C(CO)C2
InChIInChI=1S/C17H27NO2/c19-10-15-7-12-2-4-16(15)18(9-12)17(20)8-14-6-11-1-3-13(14)5-11/h11-16,19H,1-10H2
InChIKeyMSVYKNPOHNHEKD-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63861531
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloropyrrolidin-1-yl)ethanone
CID 63398230
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 24704808
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775466
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720456
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 102978450
3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid
CID 62216258

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone (CID 126824781) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone is O=C(CC1CC2CCC1C2)N1CC2CCC1C(CO)C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone?
The InChIKey is MSVYKNPOHNHEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-10-15-7-12-2-4-16(15)18(9-12)17(20)8-14-6-11-1-3-13(14)5-11/h11-16,19H,1-10H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone has a molecular weight of 277.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]ethanone is sourced from PubChem (CID 126824781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).