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

C7H13ClN2O2 — CID 75480642

IUPAC3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCl.O=C1NC2(CCNCC2)CO1
InChIInChI=1S/C7H12N2O2.ClH/c10-6-9-7(5-11-6)1-3-8-4-2-7;/h8H,1-5H2,(H,9,10);1H
InChIKeyROBOPTOUIKIUKN-UHFFFAOYSA-N
MW192.65 g/mol
LogP0.27
Rot. Bonds

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

3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 75480642) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID75480642
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCl.O=C1NC2(CCNCC2)CO1
InChIInChI=1S/C7H12N2O2.ClH/c10-6-9-7(5-11-6)1-3-8-4-2-7;/h8H,1-5H2,(H,9,10);1H
InChIKeyROBOPTOUIKIUKN-UHFFFAOYSA-N
XLogP0.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride with MolForge

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Related Compounds

(4-Methoxymethylpiperidin-4-yl)carbamic acid tert-butyl ester
CID 67957499
3-Oxa-1,8-diazaspiro[4.5]decan-2-one
CID 22975681
1-(2,2,2-Trifluoroethyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 83897937
8-Methyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 57780956
8-(2,2-Dimethylpropyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 59114455
8-Ethyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 65584075
8-Propan-2-yl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 65585958
3-(4-Methyl-4-piperidinyl)-1,3-oxazolidin-2-one
CID 68495001
1-Oxa-3,7-diazaspiro[4.5]decan-2-one hydrochloride
CID 74890040
1-Methyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 83874009
1-Propan-2-yl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 83880331
1-Tert-butyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 83885816

Frequently Asked Questions

What is the IUPAC name of 3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 75480642) is 3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride is Cl.O=C1NC2(CCNCC2)CO1.
What is the InChIKey of 3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is ROBOPTOUIKIUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.ClH/c10-6-9-7(5-11-6)1-3-8-4-2-7;/h8H,1-5H2,(H,9,10);1H.
What are the key properties of 3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride?
3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-1,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 75480642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).