(7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane

C11H21NO — CID 22689140

IUPAC(7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane
SMILESCC(C)[C@H]1COCC2(CCCC2)N1
InChIInChI=1S/C11H21NO/c1-9(2)10-7-13-8-11(12-10)5-3-4-6-11/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyGSSZBFMVJVVWHK-SNVBAGLBSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds1

About (7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane

(7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane (PubChem CID 22689140) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name(7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane
PubChem CID22689140
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane
SMILESCC(C)[C@H]1COCC2(CCCC2)N1
InChIInChI=1S/C11H21NO/c1-9(2)10-7-13-8-11(12-10)5-3-4-6-11/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyGSSZBFMVJVVWHK-SNVBAGLBSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane?
The IUPAC name of (7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane (CID 22689140) is (7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane.
What is the SMILES notation for (7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane?
The canonical SMILES for (7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane is CC(C)[C@H]1COCC2(CCCC2)N1.
What is the InChIKey of (7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane?
The InChIKey is GSSZBFMVJVVWHK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)10-7-13-8-11(12-10)5-3-4-6-11/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane?
(7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane has a molecular weight of 183.29 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-propan-2-yl-9-oxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 22689140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).