1,8-diazaspiro[4.5]decan-2-one;dihydrochloride

C8H16Cl2N2O — CID 75531076

IUPAC1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCC2(CCNCC2)N1
InChIInChI=1S/C8H14N2O.2ClH/c11-7-1-2-8(10-7)3-5-9-6-4-8;;/h9H,1-6H2,(H,10,11);2*1H
InChIKeyJGVHICWCZWPQFH-UHFFFAOYSA-N
MW227.13 g/mol
LogP0.86
Rot. Bonds

About 1,8-diazaspiro[4.5]decan-2-one;dihydrochloride

1,8-diazaspiro[4.5]decan-2-one;dihydrochloride (PubChem CID 75531076) has the molecular formula C8H16Cl2N2O and a molecular weight of 227.13 g/mol. Its IUPAC name is 1,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

Molecular Properties

Compound Name1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
PubChem CID75531076
Molecular FormulaC8H16Cl2N2O
Molecular Weight227.13 g/mol
Exact Mass226.06
IUPAC Name1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCC2(CCNCC2)N1
InChIInChI=1S/C8H14N2O.2ClH/c11-7-1-2-8(10-7)3-5-9-6-4-8;;/h9H,1-6H2,(H,10,11);2*1H
InChIKeyJGVHICWCZWPQFH-UHFFFAOYSA-N
XLogP0.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-Diazaspiro[4.5]decan-3-one
CID 54596077
4-(Piperidin-4-yl)pyrrolidin-2-one
CID 75481059
1,8-Diazaspiro(4.5)decan-2-one
CID 22291232
2,6-Diazaspiro[4.5]decan-1-one
CID 55263339
2,6-Diazaspiro(4.5)decan-1-one hydrochloride
CID 55263338
2,7-Diazaspiro[4.5]decan-3-one hydrochloride
CID 73554841
1-Methyl-1,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 75531088
4-(Piperidin-4-yl)pyrrolidin-2-one hydrochloride
CID 122164251
2-Methyl-2,7-diazaspiro[4.5]decan-3-one hydrochloride
CID 126847364
1-(1,8-Diazaspiro(4.5)decan-1-yl)-2,2-dimethylpropan-1-one hydrochloride
CID 165654736
1-{1,8-Diazaspiro[4.5]decan-1-yl}ethan-1-one dihydrochloride
CID 165655327
1-(1,8-Diazaspiro(4.5)decan-1-yl)-2-methylpropan-1-one hydrochloride
CID 165660866

Frequently Asked Questions

What is the IUPAC name of 1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The IUPAC name of 1,8-diazaspiro[4.5]decan-2-one;dihydrochloride (CID 75531076) is 1,8-diazaspiro[4.5]decan-2-one;dihydrochloride.
What is the SMILES notation for 1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The canonical SMILES for 1,8-diazaspiro[4.5]decan-2-one;dihydrochloride is Cl.Cl.O=C1CCC2(CCNCC2)N1.
What is the InChIKey of 1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
The InChIKey is JGVHICWCZWPQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.2ClH/c11-7-1-2-8(10-7)3-5-9-6-4-8;;/h9H,1-6H2,(H,10,11);2*1H.
What are the key properties of 1,8-diazaspiro[4.5]decan-2-one;dihydrochloride?
1,8-diazaspiro[4.5]decan-2-one;dihydrochloride has a molecular weight of 227.13 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazaspiro[4.5]decan-2-one;dihydrochloride is sourced from PubChem (CID 75531076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).