1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one

C16H23NO — CID 115928063

IUPAC1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(CCC(=O)c2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-13(2)15-8-10-17(12-15)11-9-16(18)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyYOVXTKKPZQBRSE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.24
Rot. Bonds5

About 1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one

1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 115928063) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID115928063
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(CCC(=O)c2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-13(2)15-8-10-17(12-15)11-9-16(18)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
InChIKeyYOVXTKKPZQBRSE-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 113418799
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 112571405
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 112698258
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one
CID 106837729
2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide
CID 115926022
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one (CID 115928063) is 1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one is CC(C)C1CCN(CCC(=O)c2ccccc2)C1.
What is the InChIKey of 1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is YOVXTKKPZQBRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)15-8-10-17(12-15)11-9-16(18)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3.
What are the key properties of 1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one?
1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 115928063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).