2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one

C15H21NO — CID 60723604

IUPAC2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2,3)14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
InChIKeyQBQORKAWEPJCSG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.40
Rot. Bonds1

About 2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one

2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one (PubChem CID 60723604) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
PubChem CID60723604
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2,3)14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
InChIKeyQBQORKAWEPJCSG-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one (CID 60723604) is 2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one is CC(C)(C)C(=O)N1CCCC1c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one?
The InChIKey is QBQORKAWEPJCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one?
2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 60723604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).