(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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Related Compounds

2,7-Diazaspiro[4.5]decan-3-one
CID 54596077
4-(Piperidin-4-yl)pyrrolidin-2-one
CID 75481059
3,3-Diethyl-2-piperidinone
CID 10329495
2-Isopropyl-2,8-diazaspiro[4.5]decan-1-one
CID 45074064
2-Piperidone, 5,6-dimethyl-4-isopropyl-, hydrochloride
CID 3051329
7-Methyl-2,7-diazaspiro(4.5)decan-6-one
CID 51072222
8-Methyl-2,8-diazaspiro(4.5)decan-3-one
CID 10012299
2,7-Diazaspiro[4.5]decan-1-one hydrochloride
CID 45074126
2-Methyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074128
(R)-5-tert-butylpyrrolidin-2-one
CID 55299063
2,8-Diazaspiro(4.5)decan-3-one hydrochloride
CID 60145982
2,8-Diazaspiro[4.5]decan-3-one dihydrochloride
CID 75530930

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).