2,8-diazaspiro[4.5]decan-3-one;dihydrochloride

C8H16Cl2N2O — CID 75530930

IUPAC2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
SMILESCl.Cl.O=C1CC2(CCNCC2)CN1
InChIInChI=1S/C8H14N2O.2ClH/c11-7-5-8(6-10-7)1-3-9-4-2-8;;/h9H,1-6H2,(H,10,11);2*1H
InChIKeyPUGNXFYCUYCIAW-UHFFFAOYSA-N
MW227.13 g/mol
LogP0.72
Rot. Bonds

About 2,8-diazaspiro[4.5]decan-3-one;dihydrochloride

2,8-diazaspiro[4.5]decan-3-one;dihydrochloride (PubChem CID 75530930) has the molecular formula C8H16Cl2N2O and a molecular weight of 227.13 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-3-one;dihydrochloride.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
PubChem CID75530930
Molecular FormulaC8H16Cl2N2O
Molecular Weight227.13 g/mol
Exact Mass226.06
IUPAC Name2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
SMILESCl.Cl.O=C1CC2(CCNCC2)CN1
InChIInChI=1S/C8H14N2O.2ClH/c11-7-5-8(6-10-7)1-3-9-4-2-8;;/h9H,1-6H2,(H,10,11);2*1H
InChIKeyPUGNXFYCUYCIAW-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2,7-Diazaspiro[4.5]decan-3-one
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CID 45074064
7-Methyl-2,7-diazaspiro(4.5)decan-6-one
CID 51072222
8-Methyl-2,8-diazaspiro(4.5)decan-3-one
CID 10012299
4-(Pyrrolidine-1-carbonyl)piperidine hydrochloride
CID 17490807
1-[(Piperidin-4-yl)methyl]pyrrolidin-2-one hydrochloride
CID 21241491
2-Methyl-2,8-diazaspiro(4.5)decan-1-one hydrochloride
CID 21935015
2,8-Diazaspiro(4.5)decan-1-one hydrochloride
CID 42614558
2,7-Diazaspiro[4.5]decan-1-one hydrochloride
CID 45074126
2-Methyl-2,7-diazaspiro[4.5]decan-1-one
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2,9-Diazaspiro(5.5)undecan-1-one hydrochloride
CID 45074288

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decan-3-one;dihydrochloride?
The IUPAC name of 2,8-diazaspiro[4.5]decan-3-one;dihydrochloride (CID 75530930) is 2,8-diazaspiro[4.5]decan-3-one;dihydrochloride.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-3-one;dihydrochloride?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-3-one;dihydrochloride is Cl.Cl.O=C1CC2(CCNCC2)CN1.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-3-one;dihydrochloride?
The InChIKey is PUGNXFYCUYCIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.2ClH/c11-7-5-8(6-10-7)1-3-9-4-2-8;;/h9H,1-6H2,(H,10,11);2*1H.
What are the key properties of 2,8-diazaspiro[4.5]decan-3-one;dihydrochloride?
2,8-diazaspiro[4.5]decan-3-one;dihydrochloride has a molecular weight of 227.13 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decan-3-one;dihydrochloride is sourced from PubChem (CID 75530930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).