(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol

C11H23NO — CID 99995289

IUPAC(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol
SMILESCCC[C@H]1C[C@H](O)CN1CC(C)C
InChIInChI=1S/C11H23NO/c1-4-5-10-6-11(13)8-12(10)7-9(2)3/h9-11,13H,4-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyKELXOJMZUPSWFI-QWRGUYRKSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds4

About (3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol

(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol (PubChem CID 99995289) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol
PubChem CID99995289
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol
SMILESCCC[C@H]1C[C@H](O)CN1CC(C)C
InChIInChI=1S/C11H23NO/c1-4-5-10-6-11(13)8-12(10)7-9(2)3/h9-11,13H,4-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyKELXOJMZUPSWFI-QWRGUYRKSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol?
The IUPAC name of (3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol (CID 99995289) is (3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol is CCC[C@H]1C[C@H](O)CN1CC(C)C.
What is the InChIKey of (3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol?
The InChIKey is KELXOJMZUPSWFI-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-10-6-11(13)8-12(10)7-9(2)3/h9-11,13H,4-8H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol?
(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol is sourced from PubChem (CID 99995289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).