ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone

C12H25NO2 — CID 164868719

IUPACethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
SMILESCC.CC.CC(=O)N1CC2(C)CC1CO2
InChIInChI=1S/C8H13NO2.2C2H6/c1-6(10)9-5-8(2)3-7(9)4-11-8;2*1-2/h7H,3-5H2,1-2H3;2*1-2H3
InChIKeyZYEPLWGNIQVSAW-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.45
Rot. Bonds

About ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone

ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone (PubChem CID 164868719) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
PubChem CID164868719
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone
SMILESCC.CC.CC(=O)N1CC2(C)CC1CO2
InChIInChI=1S/C8H13NO2.2C2H6/c1-6(10)9-5-8(2)3-7(9)4-11-8;2*1-2/h7H,3-5H2,1-2H3;2*1-2H3
InChIKeyZYEPLWGNIQVSAW-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4R)-1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169125677
ethane;1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 145255334
1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 123489694
1-(1-acetyl-4,4-difluoropyrrolidin-2-yl)ethanone
CID 21015975
tert-butyl (1S,4S)-1-(aminomethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
CID 124704153
ethane;1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 145255190
1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 147076228
1-(2-azabicyclo[2.2.2]octan-2-yl)ethanone
CID 21357714
1-(2-ethynyl-4,4-difluoropyrrolidin-1-yl)ethanone
CID 177014877
ethane;1-(2-ethynyl-4,4-difluoropyrrolidin-1-yl)ethanone
CID 177014876
1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 118104170
1-(4-methyl-1,3-oxazolidin-3-yl)ethanone
CID 45087395

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The IUPAC name of ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone (CID 164868719) is ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone.
What is the SMILES notation for ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The canonical SMILES for ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone is CC.CC.CC(=O)N1CC2(C)CC1CO2.
What is the InChIKey of ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The InChIKey is ZYEPLWGNIQVSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.2C2H6/c1-6(10)9-5-8(2)3-7(9)4-11-8;2*1-2/h7H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone?
ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone has a molecular weight of 215.34 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanone is sourced from PubChem (CID 164868719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).