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

C7H13NO — CID 124858887

IUPAC(3R)-1-methyl-3-[(2S)-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-/m1/s1
InChIKeySJIOEXZTZSRQFE-RNFRBKRXSA-N
MW127.19 g/mol
LogP0.34
Rot. Bonds1

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

(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine (PubChem CID 124858887) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine.

Molecular Properties

Compound Name(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine
PubChem CID124858887
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3R)-1-methyl-3-[(2S)-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-/m1/s1
InChIKeySJIOEXZTZSRQFE-RNFRBKRXSA-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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Related Compounds

1-Methyl-3-(2-propan-2-yloxyethyl)pyrrolidine
CID 22960576
[(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane
CID 58120252
[(3S)-3-(oxiran-2-yl)pyrrolidin-1-yl]phosphane
CID 58120260
3-(2-Methoxyethyl)-1-methylpyrrolidine
CID 58641018
[(3S)-3-[(2S)-oxiran-2-yl]pyrrolidin-1-yl]phosphane
CID 88530421
[3-[(2S)-oxiran-2-yl]pyrrolidin-1-yl]phosphane
CID 117807265
[3-(Oxiran-2-yl)pyrrolidin-1-yl]phosphane
CID 123157913
3-(Oxiran-2-yl)pyrrolidine
CID 123765842
1-Ethyl-3-(2-methoxyethyl)pyrrolidine
CID 131211893
(3R)-3-[(2S)-oxiran-2-yl]pyrrolidine
CID 141325476
[3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane
CID 144392501
Ethane;1-methyl-3-(2-propan-2-yloxyethyl)pyrrolidine
CID 155689478

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine?
The IUPAC name of (3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine (CID 124858887) is (3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine.
What is the SMILES notation for (3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine?
The canonical SMILES for (3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine is CN1CC[C@@H]([C@H]2CO2)C1.
What is the InChIKey of (3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine?
The InChIKey is SJIOEXZTZSRQFE-RNFRBKRXSA-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-/m1/s1.
What are the key properties of (3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine?
(3R)-1-methyl-3-[(2S)-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 (3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine is sourced from PubChem (CID 124858887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).