(3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one

C9H16N2O — CID 124672489

IUPAC(3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESC[C@H]1CC2(CCNCC2)C(=O)N1
InChIInChI=1S/C9H16N2O/c1-7-6-9(8(12)11-7)2-4-10-5-3-9/h7,10H,2-6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyRGZKUQXTVRELEX-ZETCQYMHSA-N
MW168.24 g/mol
LogP0.26
Rot. Bonds

About (3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one

(3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 124672489) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID124672489
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESC[C@H]1CC2(CCNCC2)C(=O)N1
InChIInChI=1S/C9H16N2O/c1-7-6-9(8(12)11-7)2-4-10-5-3-9/h7,10H,2-6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyRGZKUQXTVRELEX-ZETCQYMHSA-N
XLogP0.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 124672489) is (3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one is C[C@H]1CC2(CCNCC2)C(=O)N1.
What is the InChIKey of (3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is RGZKUQXTVRELEX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-6-9(8(12)11-7)2-4-10-5-3-9/h7,10H,2-6H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one?
(3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 168.24 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 124672489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).