1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone

C10H16N2O2 — CID 162853109

IUPAC1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone
SMILESCC(=O)N1C[C@H]2CN3CCC[C@H](O2)[C@@H]31
InChIInChI=1S/C10H16N2O2/c1-7(13)12-6-8-5-11-4-2-3-9(14-8)10(11)12/h8-10H,2-6H2,1H3/t8-,9+,10+/m1/s1
InChIKeyCGXUGFFFWCZWDQ-UTLUCORTSA-N
MW196.25 g/mol
LogP0.04
Rot. Bonds

About 1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone

1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone (PubChem CID 162853109) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone
PubChem CID162853109
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone
SMILESCC(=O)N1C[C@H]2CN3CCC[C@H](O2)[C@@H]31
InChIInChI=1S/C10H16N2O2/c1-7(13)12-6-8-5-11-4-2-3-9(14-8)10(11)12/h8-10H,2-6H2,1H3/t8-,9+,10+/m1/s1
InChIKeyCGXUGFFFWCZWDQ-UTLUCORTSA-N
XLogP0.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone with MolForge

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Related Compounds

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CID 68573047
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CID 90127197
(2R,3R)-2-methyl-1-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylic acid
CID 122115932
(1R,2S,9S)-11-methyl-13-oxa-7,11-diazatricyclo[7.3.1.02,7]tridecane
CID 102576772
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
1-[(2S)-2-acetylpyrrolidin-1-yl]propane-1,2-dione
CID 59063523
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
1-acetylpyrrolidine-2-carbonyl fluoride;difluoromethane;ethane
CID 143011981
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone?
The IUPAC name of 1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone (CID 162853109) is 1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone.
What is the SMILES notation for 1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone?
The canonical SMILES for 1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone is CC(=O)N1C[C@H]2CN3CCC[C@H](O2)[C@@H]31.
What is the InChIKey of 1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone?
The InChIKey is CGXUGFFFWCZWDQ-UTLUCORTSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(13)12-6-8-5-11-4-2-3-9(14-8)10(11)12/h8-10H,2-6H2,1H3/t8-,9+,10+/m1/s1.
What are the key properties of 1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone?
1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone has a molecular weight of 196.25 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S,8S)-2-oxa-7,9-diazatricyclo[5.3.1.03,8]undecan-9-yl]ethanone is sourced from PubChem (CID 162853109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).