(3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine

C12H17NO — CID 68531803

IUPAC(3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine
SMILESC[C@H]1CNC[C@@H]1COc1ccccc1
InChIInChI=1S/C12H17NO/c1-10-7-13-8-11(10)9-14-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3/t10-,11+/m0/s1
InChIKeyXOWUECBJJFEETC-WDEREUQCSA-N
MW191.27 g/mol
LogP1.92
Rot. Bonds3

About (3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine

(3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine (PubChem CID 68531803) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine
PubChem CID68531803
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine
SMILESC[C@H]1CNC[C@@H]1COc1ccccc1
InChIInChI=1S/C12H17NO/c1-10-7-13-8-11(10)9-14-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3/t10-,11+/m0/s1
InChIKeyXOWUECBJJFEETC-WDEREUQCSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine?
The IUPAC name of (3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine (CID 68531803) is (3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine.
What is the SMILES notation for (3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine?
The canonical SMILES for (3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine is C[C@H]1CNC[C@@H]1COc1ccccc1.
What is the InChIKey of (3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine?
The InChIKey is XOWUECBJJFEETC-WDEREUQCSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-7-13-8-11(10)9-14-12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine?
(3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-4-(phenoxymethyl)pyrrolidine is sourced from PubChem (CID 68531803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).