(2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane

C11H19NO — CID 6918122

IUPAC(2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
SMILESC=C1CC2(CCN(C)CC2)O[C@H]1C
InChIInChI=1S/C11H19NO/c1-9-8-11(13-10(9)2)4-6-12(3)7-5-11/h10H,1,4-8H2,2-3H3/t10-/m0/s1
InChIKeyHDTOQYUZMCNTBZ-JTQLQIEISA-N
MW181.28 g/mol
LogP1.82
Rot. Bonds

About (2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane

(2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane (PubChem CID 6918122) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
PubChem CID6918122
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
SMILESC=C1CC2(CCN(C)CC2)O[C@H]1C
InChIInChI=1S/C11H19NO/c1-9-8-11(13-10(9)2)4-6-12(3)7-5-11/h10H,1,4-8H2,2-3H3/t10-/m0/s1
InChIKeyHDTOQYUZMCNTBZ-JTQLQIEISA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane (CID 6918122) is (2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane is C=C1CC2(CCN(C)CC2)O[C@H]1C.
What is the InChIKey of (2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is HDTOQYUZMCNTBZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO/c1-9-8-11(13-10(9)2)4-6-12(3)7-5-11/h10H,1,4-8H2,2-3H3/t10-/m0/s1.
What are the key properties of (2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane?
(2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 181.28 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 6918122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).