[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone

C18H19NO — CID 1481109

IUPAC[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
SMILESCN1C[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H19NO/c1-19-12-16(14-8-4-2-5-9-14)17(13-19)18(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1
InChIKeySYPUBBORRYKBCW-DLBZAZTESA-N
MW265.36 g/mol
LogP3.21
Rot. Bonds3

About [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone

[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone (PubChem CID 1481109) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
PubChem CID1481109
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
SMILESCN1C[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H19NO/c1-19-12-16(14-8-4-2-5-9-14)17(13-19)18(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1
InChIKeySYPUBBORRYKBCW-DLBZAZTESA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone?
The IUPAC name of [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone (CID 1481109) is [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone?
The canonical SMILES for [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone is CN1C[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone?
The InChIKey is SYPUBBORRYKBCW-DLBZAZTESA-N. The full InChI is InChI=1S/C18H19NO/c1-19-12-16(14-8-4-2-5-9-14)17(13-19)18(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone?
[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone has a molecular weight of 265.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-phenylmethanone is sourced from PubChem (CID 1481109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).