phenyl-(4-pyrrolidin-1-ylphenyl)methanone

C17H17NO — CID 883228

IUPACphenyl-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccccc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H17NO/c19-17(14-6-2-1-3-7-14)15-8-10-16(11-9-15)18-12-4-5-13-18/h1-3,6-11H,4-5,12-13H2
InChIKeyBNWHLHLUIBNZIC-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.52
Rot. Bonds3

About phenyl-(4-pyrrolidin-1-ylphenyl)methanone

phenyl-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 883228) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is phenyl-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Namephenyl-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID883228
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Namephenyl-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccccc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H17NO/c19-17(14-6-2-1-3-7-14)15-8-10-16(11-9-15)18-12-4-5-13-18/h1-3,6-11H,4-5,12-13H2
InChIKeyBNWHLHLUIBNZIC-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of phenyl-(4-pyrrolidin-1-ylphenyl)methanone (CID 883228) is phenyl-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for phenyl-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for phenyl-(4-pyrrolidin-1-ylphenyl)methanone is O=C(c1ccccc1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of phenyl-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is BNWHLHLUIBNZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(14-6-2-1-3-7-14)15-8-10-16(11-9-15)18-12-4-5-13-18/h1-3,6-11H,4-5,12-13H2.
What are the key properties of phenyl-(4-pyrrolidin-1-ylphenyl)methanone?
phenyl-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 251.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 883228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).