(7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane

C15H21NO — CID 22689144

IUPAC(7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane
SMILESc1ccc(C[C@H]2COCC3(CCCC3)N2)cc1
InChIInChI=1S/C15H21NO/c1-2-6-13(7-3-1)10-14-11-17-12-15(16-14)8-4-5-9-15/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m0/s1
InChIKeyRIKPMSXGMQAXAH-AWEZNQCLSA-N
MW231.34 g/mol
LogP2.53
Rot. Bonds2

About (7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane

(7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane (PubChem CID 22689144) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name(7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane
PubChem CID22689144
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane
SMILESc1ccc(C[C@H]2COCC3(CCCC3)N2)cc1
InChIInChI=1S/C15H21NO/c1-2-6-13(7-3-1)10-14-11-17-12-15(16-14)8-4-5-9-15/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m0/s1
InChIKeyRIKPMSXGMQAXAH-AWEZNQCLSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane?
The IUPAC name of (7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane (CID 22689144) is (7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane.
What is the SMILES notation for (7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane?
The canonical SMILES for (7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane is c1ccc(C[C@H]2COCC3(CCCC3)N2)cc1.
What is the InChIKey of (7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane?
The InChIKey is RIKPMSXGMQAXAH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-6-13(7-3-1)10-14-11-17-12-15(16-14)8-4-5-9-15/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m0/s1.
What are the key properties of (7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane?
(7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane has a molecular weight of 231.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 22689144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).