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

C9H17ClN2O — CID 115023776

IUPAC8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCN1CCC2(CC1)CC(=O)CN2.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-11-4-2-9(3-5-11)6-8(12)7-10-9;/h10H,2-7H2,1H3;1H
InChIKeyHVQJUFYEUKNKCT-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.44
Rot. Bonds

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

8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride (PubChem CID 115023776) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride.

Molecular Properties

Compound Name8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride
PubChem CID115023776
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride
SMILESCN1CCC2(CC1)CC(=O)CN2.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-11-4-2-9(3-5-11)6-8(12)7-10-9;/h10H,2-7H2,1H3;1H
InChIKeyHVQJUFYEUKNKCT-UHFFFAOYSA-N
XLogP0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The IUPAC name of 8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride (CID 115023776) is 8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride.
What is the SMILES notation for 8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The canonical SMILES for 8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride is CN1CCC2(CC1)CC(=O)CN2.Cl.
What is the InChIKey of 8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride?
The InChIKey is HVQJUFYEUKNKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-11-4-2-9(3-5-11)6-8(12)7-10-9;/h10H,2-7H2,1H3;1H.
What are the key properties of 8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride?
8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride is sourced from PubChem (CID 115023776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).