7-benzyl-9-oxa-6-azaspiro[4.5]decane

C15H21NO — CID 56766379

IUPAC7-benzyl-9-oxa-6-azaspiro[4.5]decane
SMILESc1ccc(CC2COCC3(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
InChIKeyRIKPMSXGMQAXAH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.53
Rot. Bonds2

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

7-benzyl-9-oxa-6-azaspiro[4.5]decane (PubChem CID 56766379) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 7-benzyl-9-oxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name7-benzyl-9-oxa-6-azaspiro[4.5]decane
PubChem CID56766379
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name7-benzyl-9-oxa-6-azaspiro[4.5]decane
SMILESc1ccc(CC2COCC3(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
InChIKeyRIKPMSXGMQAXAH-UHFFFAOYSA-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 7-benzyl-9-oxa-6-azaspiro[4.5]decane?
The IUPAC name of 7-benzyl-9-oxa-6-azaspiro[4.5]decane (CID 56766379) is 7-benzyl-9-oxa-6-azaspiro[4.5]decane.
What is the SMILES notation for 7-benzyl-9-oxa-6-azaspiro[4.5]decane?
The canonical SMILES for 7-benzyl-9-oxa-6-azaspiro[4.5]decane is c1ccc(CC2COCC3(CCCC3)N2)cc1.
What is the InChIKey of 7-benzyl-9-oxa-6-azaspiro[4.5]decane?
The InChIKey is RIKPMSXGMQAXAH-UHFFFAOYSA-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.
What are the key properties of 7-benzyl-9-oxa-6-azaspiro[4.5]decane?
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 7-benzyl-9-oxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 56766379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).