2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine

C15H15NO — CID 101468002

IUPAC2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine
SMILESCC[C@@]1(c2ccccc2)O[C@H]1c1ccccn1
InChIInChI=1S/C15H15NO/c1-2-15(12-8-4-3-5-9-12)14(17-15)13-10-6-7-11-16-13/h3-11,14H,2H2,1H3/t14-,15-/m0/s1
InChIKeyDLVLBHGSOKGPBK-GJZGRUSLSA-N
MW225.29 g/mol
LogP3.46
Rot. Bonds3

About 2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine

2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine (PubChem CID 101468002) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine
PubChem CID101468002
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine
SMILESCC[C@@]1(c2ccccc2)O[C@H]1c1ccccn1
InChIInChI=1S/C15H15NO/c1-2-15(12-8-4-3-5-9-12)14(17-15)13-10-6-7-11-16-13/h3-11,14H,2H2,1H3/t14-,15-/m0/s1
InChIKeyDLVLBHGSOKGPBK-GJZGRUSLSA-N
XLogP3.46
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.46
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine?
The IUPAC name of 2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine (CID 101468002) is 2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine.
What is the SMILES notation for 2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine?
The canonical SMILES for 2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine is CC[C@@]1(c2ccccc2)O[C@H]1c1ccccn1.
What is the InChIKey of 2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine?
The InChIKey is DLVLBHGSOKGPBK-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-15(12-8-4-3-5-9-12)14(17-15)13-10-6-7-11-16-13/h3-11,14H,2H2,1H3/t14-,15-/m0/s1.
What are the key properties of 2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine?
2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine has a molecular weight of 225.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine is sourced from PubChem (CID 101468002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).