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

C16H23NO — CID 130439519

IUPAC5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane
SMILESCC(C)C1C(c2ccccc2)CN(C)C12COC2
InChIInChI=1S/C16H23NO/c1-12(2)15-14(13-7-5-4-6-8-13)9-17(3)16(15)10-18-11-16/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyIFEWEKKUWDNVOP-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.76
Rot. Bonds2

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

5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane (PubChem CID 130439519) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane
PubChem CID130439519
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane
SMILESCC(C)C1C(c2ccccc2)CN(C)C12COC2
InChIInChI=1S/C16H23NO/c1-12(2)15-14(13-7-5-4-6-8-13)9-17(3)16(15)10-18-11-16/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyIFEWEKKUWDNVOP-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane?
The IUPAC name of 5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane (CID 130439519) is 5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane.
What is the SMILES notation for 5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane?
The canonical SMILES for 5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane is CC(C)C1C(c2ccccc2)CN(C)C12COC2.
What is the InChIKey of 5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane?
The InChIKey is IFEWEKKUWDNVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)15-14(13-7-5-4-6-8-13)9-17(3)16(15)10-18-11-16/h4-8,12,14-15H,9-11H2,1-3H3.
What are the key properties of 5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane?
5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane has a molecular weight of 245.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenyl-8-propan-2-yl-2-oxa-5-azaspiro[3.4]octane is sourced from PubChem (CID 130439519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).