2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one

C16H21NO — CID 164630321

IUPAC2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one
SMILESCC(C)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1
InChIInChI=1S/C16H21NO/c1-12(2)15(18)17-11-16(9-6-10-16)14(17)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3/t14-/m1/s1
InChIKeyNSIWAMPIXBTYOC-CQSZACIVSA-N
MW243.35 g/mol
LogP3.40
Rot. Bonds2

About 2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one

2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one (PubChem CID 164630321) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one
PubChem CID164630321
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one
SMILESCC(C)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1
InChIInChI=1S/C16H21NO/c1-12(2)15(18)17-11-16(9-6-10-16)14(17)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3/t14-/m1/s1
InChIKeyNSIWAMPIXBTYOC-CQSZACIVSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one (CID 164630321) is 2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one is CC(C)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1.
What is the InChIKey of 2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
The InChIKey is NSIWAMPIXBTYOC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(2)15(18)17-11-16(9-6-10-16)14(17)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one has a molecular weight of 243.35 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]propan-1-one is sourced from PubChem (CID 164630321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).