5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one

C10H18N2O2 — CID 58245500

IUPAC5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one
SMILESCCN1C(=O)CCOC12CCCNC2
InChIInChI=1S/C10H18N2O2/c1-2-12-9(13)4-7-14-10(12)5-3-6-11-8-10/h11H,2-8H2,1H3
InChIKeyVTGOTRGGZLLHDG-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.33
Rot. Bonds1

About 5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one

5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one (PubChem CID 58245500) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one
PubChem CID58245500
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one
SMILESCCN1C(=O)CCOC12CCCNC2
InChIInChI=1S/C10H18N2O2/c1-2-12-9(13)4-7-14-10(12)5-3-6-11-8-10/h11H,2-8H2,1H3
InChIKeyVTGOTRGGZLLHDG-UHFFFAOYSA-N
XLogP0.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-4-ethyl-1-oxa-4,8-diazaspiro[5.5]undecan-5-one
CID 129495417
4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane
CID 91336838
(5R)-2-ethyl-2,9-diazaspiro[4.5]decan-1-one
CID 92775014
2-propan-2-yl-2,9-diazaspiro[4.5]decan-3-one
CID 84667102
(5S)-1-oxa-9-azaspiro[4.5]decan-2-one
CID 86334414
2-ethyl-1-methyl-2,8-diazabicyclo[5.5.0]dodecan-3-one
CID 171158795
3-(2-methylbutan-2-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 131629235
11-ethyl-8,11-diazaspiro[5.6]dodecan-12-one
CID 115100283
6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one
CID 101251967
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
3-fluoro-3-propylpiperidine
CID 83815245
2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 45074134

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one?
The IUPAC name of 5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one (CID 58245500) is 5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one.
What is the SMILES notation for 5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one?
The canonical SMILES for 5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one is CCN1C(=O)CCOC12CCCNC2.
What is the InChIKey of 5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one?
The InChIKey is VTGOTRGGZLLHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-12-9(13)4-7-14-10(12)5-3-6-11-8-10/h11H,2-8H2,1H3.
What are the key properties of 5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one?
5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one has a molecular weight of 198.27 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one is sourced from PubChem (CID 58245500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).