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

C8H13NO3 — CID 131201623

IUPAC1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C8H13NO3/c1-7(10)9-3-2-8(6-9)11-4-5-12-8/h2-6H2,1H3
InChIKeyGBGKJLZZJBCUMA-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.02
Rot. Bonds

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

1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone (PubChem CID 131201623) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone
PubChem CID131201623
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C8H13NO3/c1-7(10)9-3-2-8(6-9)11-4-5-12-8/h2-6H2,1H3
InChIKeyGBGKJLZZJBCUMA-UHFFFAOYSA-N
XLogP-0.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
The IUPAC name of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone (CID 131201623) is 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone.
What is the SMILES notation for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
The canonical SMILES for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone is CC(=O)N1CCC2(C1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
The InChIKey is GBGKJLZZJBCUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-7(10)9-3-2-8(6-9)11-4-5-12-8/h2-6H2,1H3.
What are the key properties of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone has a molecular weight of 171.20 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone is sourced from PubChem (CID 131201623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).