phenyl-(3-phenylpyrrolidin-1-yl)methanone

C17H17NO — CID 6422044

IUPACphenyl-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H17NO/c19-17(15-9-5-2-6-10-15)18-12-11-16(13-18)14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyRBXSDXBMHMEMMJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.32
Rot. Bonds2

About phenyl-(3-phenylpyrrolidin-1-yl)methanone

phenyl-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 6422044) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is phenyl-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID6422044
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Namephenyl-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H17NO/c19-17(15-9-5-2-6-10-15)18-12-11-16(13-18)14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyRBXSDXBMHMEMMJ-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
(3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone
CID 140969221
[3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 54466721
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
(3-phenylpyrrolidin-1-yl)-(4-propan-2-ylsulfinylphenyl)methanone
CID 71998180
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
CID 15986673
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 110014366
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of phenyl-(3-phenylpyrrolidin-1-yl)methanone (CID 6422044) is phenyl-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for phenyl-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for phenyl-(3-phenylpyrrolidin-1-yl)methanone is O=C(c1ccccc1)N1CCC(c2ccccc2)C1.
What is the InChIKey of phenyl-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is RBXSDXBMHMEMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(15-9-5-2-6-10-15)18-12-11-16(13-18)14-7-3-1-4-8-14/h1-10,16H,11-13H2.
What are the key properties of phenyl-(3-phenylpyrrolidin-1-yl)methanone?
phenyl-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 6422044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).