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

C9H17NO — CID 167468674

IUPAC(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
SMILESCN1CCC[C@]2(CCCO2)C1
InChIInChI=1S/C9H17NO/c1-10-6-2-4-9(8-10)5-3-7-11-9/h2-8H2,1H3/t9-/m0/s1
InChIKeyDCCDYZPJCRONFZ-VIFPVBQESA-N
MW155.24 g/mol
LogP1.26
Rot. Bonds

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

(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane (PubChem CID 167468674) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
PubChem CID167468674
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
SMILESCN1CCC[C@]2(CCCO2)C1
InChIInChI=1S/C9H17NO/c1-10-6-2-4-9(8-10)5-3-7-11-9/h2-8H2,1H3/t9-/m0/s1
InChIKeyDCCDYZPJCRONFZ-VIFPVBQESA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane (CID 167468674) is (5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane is CN1CCC[C@]2(CCCO2)C1.
What is the InChIKey of (5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is DCCDYZPJCRONFZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-10-6-2-4-9(8-10)5-3-7-11-9/h2-8H2,1H3/t9-/m0/s1.
What are the key properties of (5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane?
(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 155.24 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 167468674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).