(3R,4S)-3-benzyl-4-methoxypyrrolidine

C12H17NO — CID 59265809

IUPAC(3R,4S)-3-benzyl-4-methoxypyrrolidine
SMILESCO[C@@H]1CNC[C@H]1Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-14-12-9-13-8-11(12)7-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3/t11-,12-/m1/s1
InChIKeyONIJOBQRBGWCOX-VXGBXAGGSA-N
MW191.27 g/mol
LogP1.46
Rot. Bonds3

About (3R,4S)-3-benzyl-4-methoxypyrrolidine

(3R,4S)-3-benzyl-4-methoxypyrrolidine (PubChem CID 59265809) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3R,4S)-3-benzyl-4-methoxypyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-benzyl-4-methoxypyrrolidine
PubChem CID59265809
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3R,4S)-3-benzyl-4-methoxypyrrolidine
SMILESCO[C@@H]1CNC[C@H]1Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-14-12-9-13-8-11(12)7-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3/t11-,12-/m1/s1
InChIKeyONIJOBQRBGWCOX-VXGBXAGGSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-benzyl-4-methoxypyrrolidine?
The IUPAC name of (3R,4S)-3-benzyl-4-methoxypyrrolidine (CID 59265809) is (3R,4S)-3-benzyl-4-methoxypyrrolidine.
What is the SMILES notation for (3R,4S)-3-benzyl-4-methoxypyrrolidine?
The canonical SMILES for (3R,4S)-3-benzyl-4-methoxypyrrolidine is CO[C@@H]1CNC[C@H]1Cc1ccccc1.
What is the InChIKey of (3R,4S)-3-benzyl-4-methoxypyrrolidine?
The InChIKey is ONIJOBQRBGWCOX-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-12-9-13-8-11(12)7-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of (3R,4S)-3-benzyl-4-methoxypyrrolidine?
(3R,4S)-3-benzyl-4-methoxypyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-benzyl-4-methoxypyrrolidine is sourced from PubChem (CID 59265809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).