(5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane

C9H17NO — CID 122597372

IUPAC(5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane
SMILESC[C@H]1CCOC[C@]12CCCN2
InChIInChI=1S/C9H17NO/c1-8-3-6-11-7-9(8)4-2-5-10-9/h8,10H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyKELKLTYKWFRMEJ-DTWKUNHWSA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds

About (5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane

(5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane (PubChem CID 122597372) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane
PubChem CID122597372
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane
SMILESC[C@H]1CCOC[C@]12CCCN2
InChIInChI=1S/C9H17NO/c1-8-3-6-11-7-9(8)4-2-5-10-9/h8,10H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyKELKLTYKWFRMEJ-DTWKUNHWSA-N
XLogP1.16
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 ≤ 51.16
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-9-oxa-1-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane (CID 122597372) is (5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane is C[C@H]1CCOC[C@]12CCCN2.
What is the InChIKey of (5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane?
The InChIKey is KELKLTYKWFRMEJ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-3-6-11-7-9(8)4-2-5-10-9/h8,10H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane?
(5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane has a molecular weight of 155.24 g/mol, XLogP of 1.16, 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-9-oxa-1-azaspiro[4.5]decane is sourced from PubChem (CID 122597372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).