1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane

C13H23NO4 — CID 142269127

IUPAC1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane
SMILESCC.CC(=O)[C@@H]1CC2(CN1C(C)=O)OCCCO2
InChIInChI=1S/C11H17NO4.C2H6/c1-8(13)10-6-11(7-12(10)9(2)14)15-4-3-5-16-11;1-2/h10H,3-7H2,1-2H3;1-2H3/t10-;/m0./s1
InChIKeyGEWLUZCGTXKLCM-PPHPATTJSA-N
MW257.33 g/mol
LogP1.36
Rot. Bonds1

About 1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane

1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane (PubChem CID 142269127) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane
PubChem CID142269127
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane
SMILESCC.CC(=O)[C@@H]1CC2(CN1C(C)=O)OCCCO2
InChIInChI=1S/C11H17NO4.C2H6/c1-8(13)10-6-11(7-12(10)9(2)14)15-4-3-5-16-11;1-2/h10H,3-7H2,1-2H3;1-2H3/t10-;/m0./s1
InChIKeyGEWLUZCGTXKLCM-PPHPATTJSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane with MolForge

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Related Compounds

Methyl 2-acetyl-4-ethoxypyrrolidine-1-carboxylate
CID 21139275
(3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarbaldehyde
CID 58807855
1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone
CID 67561539
1-(7-Acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl)ethanone
CID 77314024
(3S)-3-acetyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carbaldehyde
CID 89380119
1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone
CID 117744497
1-[(2S,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-2-yl]ethanone
CID 117757595
(3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid
CID 141287005
1-(8-Acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one
CID 142110435
1-[(2S,4R)-1-acetyl-4-(2-hydroxypropan-2-yloxy)pyrrolidin-2-yl]ethanone
CID 143011930
2-[(2S)-1,2-diacetylpyrrolidin-3-yl]oxypropan-2-olate
CID 163793566
1-[(2S,4R)-2-acetyl-4-methoxypyrrolidin-1-yl]propan-1-one
CID 163896196

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane?
The IUPAC name of 1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane (CID 142269127) is 1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane.
What is the SMILES notation for 1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane?
The canonical SMILES for 1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane is CC.CC(=O)[C@@H]1CC2(CN1C(C)=O)OCCCO2.
What is the InChIKey of 1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane?
The InChIKey is GEWLUZCGTXKLCM-PPHPATTJSA-N. The full InChI is InChI=1S/C11H17NO4.C2H6/c1-8(13)10-6-11(7-12(10)9(2)14)15-4-3-5-16-11;1-2/h10H,3-7H2,1-2H3;1-2H3/t10-;/m0./s1.
What are the key properties of 1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane?
1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane has a molecular weight of 257.33 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2-acetyl-6,10-dioxa-2-azaspiro[4.5]decan-3-yl]ethanone;ethane is sourced from PubChem (CID 142269127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).