[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone

C15H19NO2 — CID 11096870

IUPAC[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone
SMILESC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C15H19NO2/c1-10-8-9-11(2)16(10)15(17)14-13(18-14)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3/t10-,11-,13+,14-/m1/s1
InChIKeyPYHYVROUXOFSKK-MHDGFBEUSA-N
MW245.32 g/mol
LogP2.53
Rot. Bonds2

About [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone

[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone (PubChem CID 11096870) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone
PubChem CID11096870
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone
SMILESC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C15H19NO2/c1-10-8-9-11(2)16(10)15(17)14-13(18-14)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3/t10-,11-,13+,14-/m1/s1
InChIKeyPYHYVROUXOFSKK-MHDGFBEUSA-N
XLogP2.53
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 571063
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1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine
CID 10879038
N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide
CID 131753145
N-[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-3-phenyloxirane-2-carboxamide
CID 89737538
2-methoxy-N,N-dimethyl-2-phenylacetamide
CID 15642516
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
(2R)-2-methoxy-2-phenyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 50956380
[(3aR,5S,7aR)-1-(2-phenylmethoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 98777555
(2R,3S)-N-Methyl-3-phenyl-N-[(Z)-2-phenylvinyl]-2-oxiranecarboxamide
CID 6442212

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The IUPAC name of [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone (CID 11096870) is [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone.
What is the SMILES notation for [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The canonical SMILES for [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone is C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
The InChIKey is PYHYVROUXOFSKK-MHDGFBEUSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-8-9-11(2)16(10)15(17)14-13(18-14)12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3/t10-,11-,13+,14-/m1/s1.
What are the key properties of [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone?
[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone has a molecular weight of 245.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[(2R,3S)-3-phenyloxiran-2-yl]methanone is sourced from PubChem (CID 11096870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).