3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C9H17ClN2O2 — CID 117272867

IUPAC3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCCN1CC2(CCNCC2)OC1=O.Cl
InChIInChI=1S/C9H16N2O2.ClH/c1-2-11-7-9(13-8(11)12)3-5-10-6-4-9;/h10H,2-7H2,1H3;1H
InChIKeyGZGBVHPTFJYPHY-UHFFFAOYSA-N
MW220.70 g/mol
LogP1.00
Rot. Bonds1

About 3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 117272867) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID117272867
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCCN1CC2(CCNCC2)OC1=O.Cl
InChIInChI=1S/C9H16N2O2.ClH/c1-2-11-7-9(13-8(11)12)3-5-10-6-4-9;/h10H,2-7H2,1H3;1H
InChIKeyGZGBVHPTFJYPHY-UHFFFAOYSA-N
XLogP1.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 117272867) is 3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is CCN1CC2(CCNCC2)OC1=O.Cl.
What is the InChIKey of 3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is GZGBVHPTFJYPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c1-2-11-7-9(13-8(11)12)3-5-10-6-4-9;/h10H,2-7H2,1H3;1H.
What are the key properties of 3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 117272867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).