(4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one

C11H19NO — CID 10976111

IUPAC(4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one
SMILESC[C@H]1CCC[C@]12CCCN(C)C2=O
InChIInChI=1S/C11H19NO/c1-9-5-3-6-11(9)7-4-8-12(2)10(11)13/h9H,3-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyNSEAFJVYFJHRKQ-ONGXEEELSA-N
MW181.28 g/mol
LogP2.05
Rot. Bonds

About (4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one

(4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one (PubChem CID 10976111) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one
PubChem CID10976111
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one
SMILESC[C@H]1CCC[C@]12CCCN(C)C2=O
InChIInChI=1S/C11H19NO/c1-9-5-3-6-11(9)7-4-8-12(2)10(11)13/h9H,3-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyNSEAFJVYFJHRKQ-ONGXEEELSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one?
The IUPAC name of (4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one (CID 10976111) is (4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one.
What is the SMILES notation for (4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one?
The canonical SMILES for (4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one is C[C@H]1CCC[C@]12CCCN(C)C2=O.
What is the InChIKey of (4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one?
The InChIKey is NSEAFJVYFJHRKQ-ONGXEEELSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-5-3-6-11(9)7-4-8-12(2)10(11)13/h9H,3-8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of (4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one?
(4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one has a molecular weight of 181.28 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,7-dimethyl-7-azaspiro[4.5]decan-6-one is sourced from PubChem (CID 10976111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).