(3R)-1-benzyl-3-methoxypyrrolidine

C24H34N2O2 — CID 157327886

IUPAC(3R)-1-benzyl-3-methoxypyrrolidine
SMILESCO[C@@H]1CCN(Cc2ccccc2)C1.CO[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/2C12H17NO/c2*1-14-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2*2-6,12H,7-10H2,1H3/t2*12-/m11/s1
InChIKeyBEYFMPXKISQQBI-FUKRVRFJSA-N
MW382.55 g/mol
LogP3.81
Rot. Bonds6

About (3R)-1-benzyl-3-methoxypyrrolidine

(3R)-1-benzyl-3-methoxypyrrolidine (PubChem CID 157327886) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is (3R)-1-benzyl-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3R)-1-benzyl-3-methoxypyrrolidine
PubChem CID157327886
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name(3R)-1-benzyl-3-methoxypyrrolidine
SMILESCO[C@@H]1CCN(Cc2ccccc2)C1.CO[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/2C12H17NO/c2*1-14-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2*2-6,12H,7-10H2,1H3/t2*12-/m11/s1
InChIKeyBEYFMPXKISQQBI-FUKRVRFJSA-N
XLogP3.81
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-methoxypyrrolidine?
The IUPAC name of (3R)-1-benzyl-3-methoxypyrrolidine (CID 157327886) is (3R)-1-benzyl-3-methoxypyrrolidine.
What is the SMILES notation for (3R)-1-benzyl-3-methoxypyrrolidine?
The canonical SMILES for (3R)-1-benzyl-3-methoxypyrrolidine is CO[C@@H]1CCN(Cc2ccccc2)C1.CO[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-3-methoxypyrrolidine?
The InChIKey is BEYFMPXKISQQBI-FUKRVRFJSA-N. The full InChI is InChI=1S/2C12H17NO/c2*1-14-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2*2-6,12H,7-10H2,1H3/t2*12-/m11/s1.
What are the key properties of (3R)-1-benzyl-3-methoxypyrrolidine?
(3R)-1-benzyl-3-methoxypyrrolidine has a molecular weight of 382.55 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-methoxypyrrolidine is sourced from PubChem (CID 157327886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).