2-benzyl-1-oxa-3-azaspiro[4.4]nonane

C14H19NO — CID 82184395

IUPAC2-benzyl-1-oxa-3-azaspiro[4.4]nonane
SMILESc1ccc(CC2NCC3(CCCC3)O2)cc1
InChIInChI=1S/C14H19NO/c1-2-6-12(7-3-1)10-13-15-11-14(16-13)8-4-5-9-14/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeySVZUOAGZVRTWAZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds2

About 2-benzyl-1-oxa-3-azaspiro[4.4]nonane

2-benzyl-1-oxa-3-azaspiro[4.4]nonane (PubChem CID 82184395) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-benzyl-1-oxa-3-azaspiro[4.4]nonane.

Molecular Properties

Compound Name2-benzyl-1-oxa-3-azaspiro[4.4]nonane
PubChem CID82184395
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-benzyl-1-oxa-3-azaspiro[4.4]nonane
SMILESc1ccc(CC2NCC3(CCCC3)O2)cc1
InChIInChI=1S/C14H19NO/c1-2-6-12(7-3-1)10-13-15-11-14(16-13)8-4-5-9-14/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeySVZUOAGZVRTWAZ-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-oxa-3-azaspiro[4.4]nonane?
The IUPAC name of 2-benzyl-1-oxa-3-azaspiro[4.4]nonane (CID 82184395) is 2-benzyl-1-oxa-3-azaspiro[4.4]nonane.
What is the SMILES notation for 2-benzyl-1-oxa-3-azaspiro[4.4]nonane?
The canonical SMILES for 2-benzyl-1-oxa-3-azaspiro[4.4]nonane is c1ccc(CC2NCC3(CCCC3)O2)cc1.
What is the InChIKey of 2-benzyl-1-oxa-3-azaspiro[4.4]nonane?
The InChIKey is SVZUOAGZVRTWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-6-12(7-3-1)10-13-15-11-14(16-13)8-4-5-9-14/h1-3,6-7,13,15H,4-5,8-11H2.
What are the key properties of 2-benzyl-1-oxa-3-azaspiro[4.4]nonane?
2-benzyl-1-oxa-3-azaspiro[4.4]nonane has a molecular weight of 217.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-oxa-3-azaspiro[4.4]nonane is sourced from PubChem (CID 82184395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).