8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane

C15H21NO — CID 130451699

IUPAC8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane
SMILESCCC1C(c2ccccc2)CN(C)C12COC2
InChIInChI=1S/C15H21NO/c1-3-14-13(12-7-5-4-6-8-12)9-16(2)15(14)10-17-11-15/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyNAWPKXLJHMLKKO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.51
Rot. Bonds2

About 8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane

8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane (PubChem CID 130451699) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane
PubChem CID130451699
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane
SMILESCCC1C(c2ccccc2)CN(C)C12COC2
InChIInChI=1S/C15H21NO/c1-3-14-13(12-7-5-4-6-8-12)9-16(2)15(14)10-17-11-15/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyNAWPKXLJHMLKKO-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane?
The IUPAC name of 8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane (CID 130451699) is 8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane.
What is the SMILES notation for 8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane?
The canonical SMILES for 8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane is CCC1C(c2ccccc2)CN(C)C12COC2.
What is the InChIKey of 8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane?
The InChIKey is NAWPKXLJHMLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-14-13(12-7-5-4-6-8-12)9-16(2)15(14)10-17-11-15/h4-8,13-14H,3,9-11H2,1-2H3.
What are the key properties of 8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane?
8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane has a molecular weight of 231.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane is sourced from PubChem (CID 130451699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).