8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one

C15H19NO2 — CID 67987626

IUPAC8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)CC(c1ccccc1)C(=O)O2
InChIInChI=1S/C15H19NO2/c1-16-9-7-15(8-10-16)11-13(14(17)18-15)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyMSJACHCZBIPHRU-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.18
Rot. Bonds1

About 8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one

8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one (PubChem CID 67987626) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one
PubChem CID67987626
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)CC(c1ccccc1)C(=O)O2
InChIInChI=1S/C15H19NO2/c1-16-9-7-15(8-10-16)11-13(14(17)18-15)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyMSJACHCZBIPHRU-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one (CID 67987626) is 8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one is CN1CCC2(CC1)CC(c1ccccc1)C(=O)O2.
What is the InChIKey of 8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is MSJACHCZBIPHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-9-7-15(8-10-16)11-13(14(17)18-15)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of 8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one?
8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 67987626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).