2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one

C15H19NO — CID 44825476

IUPAC2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESCN1C(=O)C2(CCCCC2)C1c1ccccc1
InChIInChI=1S/C15H19NO/c1-16-13(12-8-4-2-5-9-12)15(14(16)17)10-6-3-7-11-15/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyDTARYIWXIIMQEW-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.15
Rot. Bonds1

About 2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one

2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one (PubChem CID 44825476) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one
PubChem CID44825476
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESCN1C(=O)C2(CCCCC2)C1c1ccccc1
InChIInChI=1S/C15H19NO/c1-16-13(12-8-4-2-5-9-12)15(14(16)17)10-6-3-7-11-15/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyDTARYIWXIIMQEW-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of 2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one (CID 44825476) is 2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one is CN1C(=O)C2(CCCCC2)C1c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The InChIKey is DTARYIWXIIMQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-16-13(12-8-4-2-5-9-12)15(14(16)17)10-6-3-7-11-15/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3.
What are the key properties of 2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one?
2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one has a molecular weight of 229.32 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 44825476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).