(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine

C10H19NO2 — CID 131154288

IUPAC(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine
SMILESCO[C@H]1CN(C2CCC2)C[C@H]1OC
InChIInChI=1S/C10H19NO2/c1-12-9-6-11(7-10(9)13-2)8-4-3-5-8/h8-10H,3-7H2,1-2H3/t9-,10+
InChIKeyFNXAXFOHUZKICW-AOOOYVTPSA-N
MW185.27 g/mol
LogP0.88
Rot. Bonds3

About (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine

(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine (PubChem CID 131154288) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine.

Molecular Properties

Compound Name(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine
PubChem CID131154288
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine
SMILESCO[C@H]1CN(C2CCC2)C[C@H]1OC
InChIInChI=1S/C10H19NO2/c1-12-9-6-11(7-10(9)13-2)8-4-3-5-8/h8-10H,3-7H2,1-2H3/t9-,10+
InChIKeyFNXAXFOHUZKICW-AOOOYVTPSA-N
XLogP0.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine?
The IUPAC name of (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine (CID 131154288) is (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine.
What is the SMILES notation for (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine?
The canonical SMILES for (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine is CO[C@H]1CN(C2CCC2)C[C@H]1OC.
What is the InChIKey of (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine?
The InChIKey is FNXAXFOHUZKICW-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H19NO2/c1-12-9-6-11(7-10(9)13-2)8-4-3-5-8/h8-10H,3-7H2,1-2H3/t9-,10+.
What are the key properties of (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine?
(3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine has a molecular weight of 185.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-cyclobutyl-3,4-dimethoxypyrrolidine is sourced from PubChem (CID 131154288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).