1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone

C22H24N2O — CID 162413941

IUPAC1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc([C@H]2CC[C@H](c3ccccc3)N2C2=NCCC2)cc1
InChIInChI=1S/C22H24N2O/c1-16(25)17-9-11-19(12-10-17)21-14-13-20(18-6-3-2-4-7-18)24(21)22-8-5-15-23-22/h2-4,6-7,9-12,20-21H,5,8,13-15H2,1H3/t20-,21-/m1/s1
InChIKeyZPEREOCPAJWLNY-NHCUHLMSSA-N
MW332.45 g/mol
LogP4.96
Rot. Bonds3

About 1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone

1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone (PubChem CID 162413941) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone
PubChem CID162413941
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc([C@H]2CC[C@H](c3ccccc3)N2C2=NCCC2)cc1
InChIInChI=1S/C22H24N2O/c1-16(25)17-9-11-19(12-10-17)21-14-13-20(18-6-3-2-4-7-18)24(21)22-8-5-15-23-22/h2-4,6-7,9-12,20-21H,5,8,13-15H2,1H3/t20-,21-/m1/s1
InChIKeyZPEREOCPAJWLNY-NHCUHLMSSA-N
XLogP4.96
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone (CID 162413941) is 1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone is CC(=O)c1ccc([C@H]2CC[C@H](c3ccccc3)N2C2=NCCC2)cc1.
What is the InChIKey of 1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone?
The InChIKey is ZPEREOCPAJWLNY-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16(25)17-9-11-19(12-10-17)21-14-13-20(18-6-3-2-4-7-18)24(21)22-8-5-15-23-22/h2-4,6-7,9-12,20-21H,5,8,13-15H2,1H3/t20-,21-/m1/s1.
What are the key properties of 1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone?
1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone has a molecular weight of 332.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone is sourced from PubChem (CID 162413941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).