9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride

C14H19ClN2O2 — CID 126836730

IUPAC9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride
SMILESCl.O=C1COC2(CCNC2)CN1Cc1ccccc1
InChIInChI=1S/C14H18N2O2.ClH/c17-13-9-18-14(6-7-15-10-14)11-16(13)8-12-4-2-1-3-5-12;/h1-5,15H,6-11H2;1H
InChIKeyLEHJHJOQBAFRIQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.20
Rot. Bonds2

About 9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride

9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride (PubChem CID 126836730) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride.

Molecular Properties

Compound Name9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride
PubChem CID126836730
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride
SMILESCl.O=C1COC2(CCNC2)CN1Cc1ccccc1
InChIInChI=1S/C14H18N2O2.ClH/c17-13-9-18-14(6-7-15-10-14)11-16(13)8-12-4-2-1-3-5-12;/h1-5,15H,6-11H2;1H
InChIKeyLEHJHJOQBAFRIQ-UHFFFAOYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride?
The IUPAC name of 9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride (CID 126836730) is 9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride.
What is the SMILES notation for 9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride?
The canonical SMILES for 9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride is Cl.O=C1COC2(CCNC2)CN1Cc1ccccc1.
What is the InChIKey of 9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride?
The InChIKey is LEHJHJOQBAFRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c17-13-9-18-14(6-7-15-10-14)11-16(13)8-12-4-2-1-3-5-12;/h1-5,15H,6-11H2;1H.
What are the key properties of 9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride?
9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one;hydrochloride is sourced from PubChem (CID 126836730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).