[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone

C17H18N2O — CID 10264921

IUPAC[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone
SMILESCN1C[C@@H](C(=O)c2ccccn2)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1
InChIKeyZYZPGKZYHIMRSG-LSDHHAIUSA-N
MW266.34 g/mol
LogP2.61
Rot. Bonds3

About [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone

[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 10264921) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone
PubChem CID10264921
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone
SMILESCN1C[C@@H](C(=O)c2ccccn2)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1
InChIKeyZYZPGKZYHIMRSG-LSDHHAIUSA-N
XLogP2.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone (CID 10264921) is [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone is CN1C[C@@H](C(=O)c2ccccn2)[C@H](c2ccccc2)C1.
What is the InChIKey of [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is ZYZPGKZYHIMRSG-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19-11-14(13-7-3-2-4-8-13)15(12-19)17(20)16-9-5-6-10-18-16/h2-10,14-15H,11-12H2,1H3/t14-,15+/m0/s1.
What are the key properties of [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone?
[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 266.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 10264921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).