1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone

C10H15NO4 — CID 67561539

IUPAC1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone
SMILESCC(=O)[C@@H]1CC2(CN1C(C)=O)OCCO2
InChIInChI=1S/C10H15NO4/c1-7(12)9-5-10(14-3-4-15-10)6-11(9)8(2)13/h9H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyCHXLCHDHIIEQMX-VIFPVBQESA-N
MW213.23 g/mol
LogP-0.06
Rot. Bonds1

About 1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone

1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone (PubChem CID 67561539) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone.

Molecular Properties

Compound Name1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone
PubChem CID67561539
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone
SMILESCC(=O)[C@@H]1CC2(CN1C(C)=O)OCCO2
InChIInChI=1S/C10H15NO4/c1-7(12)9-5-10(14-3-4-15-10)6-11(9)8(2)13/h9H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyCHXLCHDHIIEQMX-VIFPVBQESA-N
XLogP-0.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone?
The IUPAC name of 1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone (CID 67561539) is 1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone.
What is the SMILES notation for 1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone?
The canonical SMILES for 1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone is CC(=O)[C@@H]1CC2(CN1C(C)=O)OCCO2.
What is the InChIKey of 1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone?
The InChIKey is CHXLCHDHIIEQMX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO4/c1-7(12)9-5-10(14-3-4-15-10)6-11(9)8(2)13/h9H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone?
1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone has a molecular weight of 213.23 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-7-acetyl-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]ethanone is sourced from PubChem (CID 67561539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).