1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone

C15H23NO — CID 116575895

IUPAC1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESO=C(CC1CC2CCC1C2)C1CC2CCC1N2
InChIInChI=1S/C15H23NO/c17-15(13-8-12-3-4-14(13)16-12)7-11-6-9-1-2-10(11)5-9/h9-14,16H,1-8H2
InChIKeyJQFUEXQYJMQCJS-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.52
Rot. Bonds3

About 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone

1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone (PubChem CID 116575895) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone.

Molecular Properties

Compound Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
PubChem CID116575895
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESO=C(CC1CC2CCC1C2)C1CC2CCC1N2
InChIInChI=1S/C15H23NO/c17-15(13-8-12-3-4-14(13)16-12)7-11-6-9-1-2-10(11)5-9/h9-14,16H,1-8H2
InChIKeyJQFUEXQYJMQCJS-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone with MolForge

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Related Compounds

2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
1-(2-aminocyclopentyl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116580084
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethanone
CID 80596174
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561305
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 114975460
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylacetamide
CID 79611059
2-(2-bicyclo[2.2.1]heptanyl)-1-morpholin-2-ylethanone
CID 116561600
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63861531
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 79658810
methyl (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 12068849

Frequently Asked Questions

What is the IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone (CID 116575895) is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone.
What is the SMILES notation for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The canonical SMILES for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone is O=C(CC1CC2CCC1C2)C1CC2CCC1N2.
What is the InChIKey of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The InChIKey is JQFUEXQYJMQCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-15(13-8-12-3-4-14(13)16-12)7-11-6-9-1-2-10(11)5-9/h9-14,16H,1-8H2.
What are the key properties of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone has a molecular weight of 233.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone is sourced from PubChem (CID 116575895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).