(2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one

C9H16N2O — CID 59884029

IUPAC(2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one
SMILESC[C@@H]1NC2(CCCC2)N(C)C1=O
InChIInChI=1S/C9H16N2O/c1-7-8(12)11(2)9(10-7)5-3-4-6-9/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyMPUBZVWCJOKZIA-ZETCQYMHSA-N
MW168.24 g/mol
LogP0.71
Rot. Bonds

About (2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one

(2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one (PubChem CID 59884029) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one
PubChem CID59884029
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one
SMILESC[C@@H]1NC2(CCCC2)N(C)C1=O
InChIInChI=1S/C9H16N2O/c1-7-8(12)11(2)9(10-7)5-3-4-6-9/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyMPUBZVWCJOKZIA-ZETCQYMHSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one (CID 59884029) is (2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one is C[C@@H]1NC2(CCCC2)N(C)C1=O.
What is the InChIKey of (2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one?
The InChIKey is MPUBZVWCJOKZIA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-8(12)11(2)9(10-7)5-3-4-6-9/h7,10H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one?
(2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one has a molecular weight of 168.24 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-1,4-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 59884029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).