(5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane

C9H17NO — CID 23279789

IUPAC(5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane
SMILESC[C@H]1CCCC[C@@]12NCCO2
InChIInChI=1S/C9H17NO/c1-8-4-2-3-5-9(8)10-6-7-11-9/h8,10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyRDILRQSMRVDSEG-IUCAKERBSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds

About (5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane

(5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane (PubChem CID 23279789) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane
PubChem CID23279789
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane
SMILESC[C@H]1CCCC[C@@]12NCCO2
InChIInChI=1S/C9H17NO/c1-8-4-2-3-5-9(8)10-6-7-11-9/h8,10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyRDILRQSMRVDSEG-IUCAKERBSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane (CID 23279789) is (5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane is C[C@H]1CCCC[C@@]12NCCO2.
What is the InChIKey of (5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane?
The InChIKey is RDILRQSMRVDSEG-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-4-2-3-5-9(8)10-6-7-11-9/h8,10H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane?
(5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane has a molecular weight of 155.24 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methyl-1-oxa-4-azaspiro[4.5]decane is sourced from PubChem (CID 23279789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).