5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane

C14H19NO — CID 121432493

IUPAC5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane
SMILESCC1CN(C)C2(COC2)C1c1ccccc1
InChIInChI=1S/C14H19NO/c1-11-8-15(2)14(9-16-10-14)13(11)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyCAYQZAHDIUUAKD-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.12
Rot. Bonds1

About 5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane

5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane (PubChem CID 121432493) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane
PubChem CID121432493
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane
SMILESCC1CN(C)C2(COC2)C1c1ccccc1
InChIInChI=1S/C14H19NO/c1-11-8-15(2)14(9-16-10-14)13(11)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyCAYQZAHDIUUAKD-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane?
The IUPAC name of 5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane (CID 121432493) is 5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane.
What is the SMILES notation for 5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane?
The canonical SMILES for 5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane is CC1CN(C)C2(COC2)C1c1ccccc1.
What is the InChIKey of 5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane?
The InChIKey is CAYQZAHDIUUAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-8-15(2)14(9-16-10-14)13(11)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of 5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane?
5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane has a molecular weight of 217.31 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-8-phenyl-2-oxa-5-azaspiro[3.4]octane is sourced from PubChem (CID 121432493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).