1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone

C8H13NO2 — CID 126556746

IUPAC1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CCO2)C1
InChIInChI=1S/C8H13NO2/c1-7(10)9-4-2-8(6-9)3-5-11-8/h2-6H2,1H3
InChIKeyNVXPRTYCSCZZSD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.40
Rot. Bonds

About 1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone

1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone (PubChem CID 126556746) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone.

Molecular Properties

Compound Name1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone
PubChem CID126556746
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CCO2)C1
InChIInChI=1S/C8H13NO2/c1-7(10)9-4-2-8(6-9)3-5-11-8/h2-6H2,1H3
InChIKeyNVXPRTYCSCZZSD-UHFFFAOYSA-N
XLogP0.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone?
The IUPAC name of 1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone (CID 126556746) is 1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone.
What is the SMILES notation for 1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone?
The canonical SMILES for 1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone is CC(=O)N1CCC2(CCO2)C1.
What is the InChIKey of 1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone?
The InChIKey is NVXPRTYCSCZZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(10)9-4-2-8(6-9)3-5-11-8/h2-6H2,1H3.
What are the key properties of 1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone?
1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone has a molecular weight of 155.20 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-7-azaspiro[3.4]octan-7-yl)ethanone is sourced from PubChem (CID 126556746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).