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

C8H15ClN2O — CID 42614558

IUPAC2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1NCCC12CCNCC2
InChIInChI=1S/C8H14N2O.ClH/c11-7-8(3-6-10-7)1-4-9-5-2-8;/h9H,1-6H2,(H,10,11);1H
InChIKeyDLQSUWJKWQAKJH-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.30
Rot. Bonds

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

2,8-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 42614558) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-1-one;hydrochloride
PubChem CID42614558
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1NCCC12CCNCC2
InChIInChI=1S/C8H14N2O.ClH/c11-7-8(3-6-10-7)1-4-9-5-2-8;/h9H,1-6H2,(H,10,11);1H
InChIKeyDLQSUWJKWQAKJH-UHFFFAOYSA-N
XLogP0.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The IUPAC name of 2,8-diazaspiro[4.5]decan-1-one;hydrochloride (CID 42614558) is 2,8-diazaspiro[4.5]decan-1-one;hydrochloride.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-1-one;hydrochloride is Cl.O=C1NCCC12CCNCC2.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The InChIKey is DLQSUWJKWQAKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c11-7-8(3-6-10-7)1-4-9-5-2-8;/h9H,1-6H2,(H,10,11);1H.
What are the key properties of 2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
2,8-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 0.30, 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-1-one;hydrochloride is sourced from PubChem (CID 42614558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).