(5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one

C9H16N2O — CID 97010257

IUPAC(5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESC[C@@H]1C[C@]2(CCN1)CNC(=O)C2
InChIInChI=1S/C9H16N2O/c1-7-4-9(2-3-10-7)5-8(12)11-6-9/h7,10H,2-6H2,1H3,(H,11,12)/t7-,9+/m1/s1
InChIKeyRYUDYVUNKFMRIS-APPZFPTMSA-N
MW168.24 g/mol
LogP0.26
Rot. Bonds

About (5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one

(5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97010257) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97010257
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESC[C@@H]1C[C@]2(CCN1)CNC(=O)C2
InChIInChI=1S/C9H16N2O/c1-7-4-9(2-3-10-7)5-8(12)11-6-9/h7,10H,2-6H2,1H3,(H,11,12)/t7-,9+/m1/s1
InChIKeyRYUDYVUNKFMRIS-APPZFPTMSA-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 (5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 97010257) is (5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one is C[C@@H]1C[C@]2(CCN1)CNC(=O)C2.
What is the InChIKey of (5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RYUDYVUNKFMRIS-APPZFPTMSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-4-9(2-3-10-7)5-8(12)11-6-9/h7,10H,2-6H2,1H3,(H,11,12)/t7-,9+/m1/s1.
What are the key properties of (5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one?
(5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-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 (5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97010257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).