8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane

C13H17NO — CID 146168789

IUPAC8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane
SMILESCC1CCN(c2ccccc2)C12COC2
InChIInChI=1S/C13H17NO/c1-11-7-8-14(13(11)9-15-10-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyGHDTXGDBROUAMX-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.30
Rot. Bonds1

About 8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane

8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane (PubChem CID 146168789) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane
PubChem CID146168789
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane
SMILESCC1CCN(c2ccccc2)C12COC2
InChIInChI=1S/C13H17NO/c1-11-7-8-14(13(11)9-15-10-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyGHDTXGDBROUAMX-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane?
The IUPAC name of 8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane (CID 146168789) is 8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane.
What is the SMILES notation for 8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane?
The canonical SMILES for 8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane is CC1CCN(c2ccccc2)C12COC2.
What is the InChIKey of 8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane?
The InChIKey is GHDTXGDBROUAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-7-8-14(13(11)9-15-10-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane?
8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane has a molecular weight of 203.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-phenyl-2-oxa-5-azaspiro[3.4]octane is sourced from PubChem (CID 146168789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).