(3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine

C7H13NO — CID 99981233

IUPAC(3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine
SMILESCN1CC[C@H]([C@@H]2CO2)C1
InChIInChI=1S/C7H13NO/c1-8-3-2-6(4-8)7-5-9-7/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeySJIOEXZTZSRQFE-BQBZGAKWSA-N
MW127.19 g/mol
LogP0.34
Rot. Bonds1

About (3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine

(3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine (PubChem CID 99981233) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine.

Molecular Properties

Compound Name(3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine
PubChem CID99981233
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine
SMILESCN1CC[C@H]([C@@H]2CO2)C1
InChIInChI=1S/C7H13NO/c1-8-3-2-6(4-8)7-5-9-7/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeySJIOEXZTZSRQFE-BQBZGAKWSA-N
XLogP0.34
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.34
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 (3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine?
The IUPAC name of (3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine (CID 99981233) is (3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine.
What is the SMILES notation for (3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine?
The canonical SMILES for (3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine is CN1CC[C@H]([C@@H]2CO2)C1.
What is the InChIKey of (3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine?
The InChIKey is SJIOEXZTZSRQFE-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-3-2-6(4-8)7-5-9-7/h6-7H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine?
(3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine has a molecular weight of 127.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[(2R)-oxiran-2-yl]pyrrolidine is sourced from PubChem (CID 99981233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).