2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one

C19H27NO — CID 71028873

IUPAC2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one
SMILESCC(C)C(=O)C1CC2(CCN(C)CC2)C1c1ccccc1
InChIInChI=1S/C19H27NO/c1-14(2)18(21)16-13-19(9-11-20(3)12-10-19)17(16)15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3
InChIKeyWNFVZIXZTBYXIB-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.73
Rot. Bonds3

About 2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one

2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one (PubChem CID 71028873) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one
PubChem CID71028873
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one
SMILESCC(C)C(=O)C1CC2(CCN(C)CC2)C1c1ccccc1
InChIInChI=1S/C19H27NO/c1-14(2)18(21)16-13-19(9-11-20(3)12-10-19)17(16)15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3
InChIKeyWNFVZIXZTBYXIB-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one (CID 71028873) is 2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one is CC(C)C(=O)C1CC2(CCN(C)CC2)C1c1ccccc1.
What is the InChIKey of 2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one?
The InChIKey is WNFVZIXZTBYXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-14(2)18(21)16-13-19(9-11-20(3)12-10-19)17(16)15-7-5-4-6-8-15/h4-8,14,16-17H,9-13H2,1-3H3.
What are the key properties of 2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one?
2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one has a molecular weight of 285.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-methyl-3-phenyl-7-azaspiro[3.5]nonan-2-yl)propan-1-one is sourced from PubChem (CID 71028873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).