6-benzyl-1-oxa-6-azaspiro[2.4]heptane

C12H15NO — CID 11194805

IUPAC6-benzyl-1-oxa-6-azaspiro[2.4]heptane
SMILESc1ccc(CN2CCC3(CO3)C2)cc1
InChIInChI=1S/C12H15NO/c1-2-4-11(5-3-1)8-13-7-6-12(9-13)10-14-12/h1-5H,6-10H2
InChIKeyWRAHFEWSPIEFTP-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.66
Rot. Bonds2

About 6-benzyl-1-oxa-6-azaspiro[2.4]heptane

6-benzyl-1-oxa-6-azaspiro[2.4]heptane (PubChem CID 11194805) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-benzyl-1-oxa-6-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-benzyl-1-oxa-6-azaspiro[2.4]heptane
PubChem CID11194805
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name6-benzyl-1-oxa-6-azaspiro[2.4]heptane
SMILESc1ccc(CN2CCC3(CO3)C2)cc1
InChIInChI=1S/C12H15NO/c1-2-4-11(5-3-1)8-13-7-6-12(9-13)10-14-12/h1-5H,6-10H2
InChIKeyWRAHFEWSPIEFTP-UHFFFAOYSA-N
XLogP1.66
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-oxa-6-azaspiro[2.4]heptane?
The IUPAC name of 6-benzyl-1-oxa-6-azaspiro[2.4]heptane (CID 11194805) is 6-benzyl-1-oxa-6-azaspiro[2.4]heptane.
What is the SMILES notation for 6-benzyl-1-oxa-6-azaspiro[2.4]heptane?
The canonical SMILES for 6-benzyl-1-oxa-6-azaspiro[2.4]heptane is c1ccc(CN2CCC3(CO3)C2)cc1.
What is the InChIKey of 6-benzyl-1-oxa-6-azaspiro[2.4]heptane?
The InChIKey is WRAHFEWSPIEFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-11(5-3-1)8-13-7-6-12(9-13)10-14-12/h1-5H,6-10H2.
What are the key properties of 6-benzyl-1-oxa-6-azaspiro[2.4]heptane?
6-benzyl-1-oxa-6-azaspiro[2.4]heptane has a molecular weight of 189.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-oxa-6-azaspiro[2.4]heptane is sourced from PubChem (CID 11194805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).