4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride

C9H17ClN2O2 — CID 75531160

IUPAC4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
SMILESCN1CC2(CCNCC2)OCC1=O.Cl
InChIInChI=1S/C9H16N2O2.ClH/c1-11-7-9(13-6-8(11)12)2-4-10-5-3-9;/h10H,2-7H2,1H3;1H
InChIKeyHGVHHEHOFFTUAE-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.02
Rot. Bonds

About 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride

4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride (PubChem CID 75531160) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
PubChem CID75531160
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
SMILESCN1CC2(CCNCC2)OCC1=O.Cl
InChIInChI=1S/C9H16N2O2.ClH/c1-11-7-9(13-6-8(11)12)2-4-10-5-3-9;/h10H,2-7H2,1H3;1H
InChIKeyHGVHHEHOFFTUAE-UHFFFAOYSA-N
XLogP0.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The IUPAC name of 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride (CID 75531160) is 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride.
What is the SMILES notation for 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The canonical SMILES for 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride is CN1CC2(CCNCC2)OCC1=O.Cl.
What is the InChIKey of 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The InChIKey is HGVHHEHOFFTUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c1-11-7-9(13-6-8(11)12)2-4-10-5-3-9;/h10H,2-7H2,1H3;1H.
What are the key properties of 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride is sourced from PubChem (CID 75531160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).