4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride

C8H15ClN2O2 — CID 138039858

IUPAC4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCN1C(=O)COC12CCNCC2.Cl
InChIInChI=1S/C8H14N2O2.ClH/c1-10-7(11)6-12-8(10)2-4-9-5-3-8;/h9H,2-6H2,1H3;1H
InChIKeyRMULBNWPEMXWGD-UHFFFAOYSA-N
MW206.67 g/mol
LogP-0.02
Rot. Bonds

About 4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride

4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 138039858) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
PubChem CID138039858
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCN1C(=O)COC12CCNCC2.Cl
InChIInChI=1S/C8H14N2O2.ClH/c1-10-7(11)6-12-8(10)2-4-9-5-3-8;/h9H,2-6H2,1H3;1H
InChIKeyRMULBNWPEMXWGD-UHFFFAOYSA-N
XLogP-0.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 5-0.02
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-4,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The IUPAC name of 4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride (CID 138039858) is 4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride.
What is the SMILES notation for 4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The canonical SMILES for 4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride is CN1C(=O)COC12CCNCC2.Cl.
What is the InChIKey of 4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The InChIKey is RMULBNWPEMXWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.ClH/c1-10-7(11)6-12-8(10)2-4-9-5-3-8;/h9H,2-6H2,1H3;1H.
What are the key properties of 4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride?
4-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 206.67 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-4,8-diazaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 138039858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).