1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

C10H18N2O2 — CID 20622557

IUPAC1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C10H18N2O2/c1-9(13)12-5-2-10(3-6-12)8-11-4-7-14-10/h11H,2-8H2,1H3
InChIKeyOLGXZIUPCRFNNO-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.01
Rot. Bonds

About 1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 20622557) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID20622557
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C10H18N2O2/c1-9(13)12-5-2-10(3-6-12)8-11-4-7-14-10/h11H,2-8H2,1H3
InChIKeyOLGXZIUPCRFNNO-UHFFFAOYSA-N
XLogP-0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 20622557) is 1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is CC(=O)N1CCC2(CC1)CNCCO2.
What is the InChIKey of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is OLGXZIUPCRFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(13)12-5-2-10(3-6-12)8-11-4-7-14-10/h11H,2-8H2,1H3.
What are the key properties of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 198.27 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 20622557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).