(1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol

C14H19NO2 — CID 54756539

IUPAC(1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol
SMILESO[C@@H]1C[C@@H]2[C@@H](O)[C@H](Cc3ccccc3)CN2C1
InChIInChI=1S/C14H19NO2/c16-12-7-13-14(17)11(8-15(13)9-12)6-10-4-2-1-3-5-10/h1-5,11-14,16-17H,6-9H2/t11-,12-,13-,14+/m1/s1
InChIKeyMVCLVJLPZDPIQM-SYQHCUMBSA-N
MW233.31 g/mol
LogP0.65
Rot. Bonds2

About (1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol

(1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol (PubChem CID 54756539) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol.

Molecular Properties

Compound Name(1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol
PubChem CID54756539
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol
SMILESO[C@@H]1C[C@@H]2[C@@H](O)[C@H](Cc3ccccc3)CN2C1
InChIInChI=1S/C14H19NO2/c16-12-7-13-14(17)11(8-15(13)9-12)6-10-4-2-1-3-5-10/h1-5,11-14,16-17H,6-9H2/t11-,12-,13-,14+/m1/s1
InChIKeyMVCLVJLPZDPIQM-SYQHCUMBSA-N
XLogP0.65
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol with MolForge

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Related Compounds

Preussin I
CID 145964355
Preussin J
CID 145974228
Preussin K
CID 145966997
Preussin H
CID 145971873
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CID 97384185
(2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 97470104
(2S,3S)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 97470432
(2S,3R)-2-benzyl-1-(oxolan-3-ylmethyl)pyrrolidin-3-ol
CID 127021114
(2R,3R,4R)-2-(hydroxymethyl)-1-(4-phenylbutyl)pyrrolidine-3,4-diol
CID 172440451
(2S,3S,4S)-2-(hydroxymethyl)-1-(6-phenylhexyl)pyrrolidine-3,4-diol
CID 172446493
(2S,3S,4S)-2-(hydroxymethyl)-1-(4-phenylbutyl)pyrrolidine-3,4-diol
CID 172456903
(2R,3R,4R)-2-(hydroxymethyl)-1-(5-phenylpentyl)pyrrolidine-3,4-diol
CID 172459128

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol?
The IUPAC name of (1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol (CID 54756539) is (1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol.
What is the SMILES notation for (1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol?
The canonical SMILES for (1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol is O[C@@H]1C[C@@H]2[C@@H](O)[C@H](Cc3ccccc3)CN2C1.
What is the InChIKey of (1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol?
The InChIKey is MVCLVJLPZDPIQM-SYQHCUMBSA-N. The full InChI is InChI=1S/C14H19NO2/c16-12-7-13-14(17)11(8-15(13)9-12)6-10-4-2-1-3-5-10/h1-5,11-14,16-17H,6-9H2/t11-,12-,13-,14+/m1/s1.
What are the key properties of (1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol?
(1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol has a molecular weight of 233.31 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,8R)-2-benzyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,6-diol is sourced from PubChem (CID 54756539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).