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

C10H19NO2 — CID 71763389

IUPAC(1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
SMILESCCC[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H]12
InChIInChI=1S/C10H19NO2/c1-2-3-7-4-5-11-6-8(12)10(13)9(7)11/h7-10,12-13H,2-6H2,1H3/t7-,8-,9-,10+/m0/s1
InChIKeyCXQLDZUTIMVPHC-AATLWQCWSA-N
MW185.27 g/mol
LogP0.21
Rot. Bonds2

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

(1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol (PubChem CID 71763389) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol.

Molecular Properties

Compound Name(1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
PubChem CID71763389
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
SMILESCCC[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H]12
InChIInChI=1S/C10H19NO2/c1-2-3-7-4-5-11-6-8(12)10(13)9(7)11/h7-10,12-13H,2-6H2,1H3/t7-,8-,9-,10+/m0/s1
InChIKeyCXQLDZUTIMVPHC-AATLWQCWSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11252155
(2R,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 153057468
(1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol
CID 143167608
(1S,6S,7S,8S)-6,7-dihydroxy-1-propyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 71762935
(1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
CID 89102266
(1S,6S,7S,8R)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 130756850
(1S,6R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 11052417
(2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 57320180
(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581981
(3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581887
(3R,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581949
(1S,7S,8R,8aR)-7-(2-phenylmethoxyethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 59100041

Frequently Asked Questions

What is the IUPAC name of (1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The IUPAC name of (1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol (CID 71763389) is (1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol.
What is the SMILES notation for (1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The canonical SMILES for (1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol is CCC[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H]12.
What is the InChIKey of (1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The InChIKey is CXQLDZUTIMVPHC-AATLWQCWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-7-4-5-11-6-8(12)10(13)9(7)11/h7-10,12-13H,2-6H2,1H3/t7-,8-,9-,10+/m0/s1.
What are the key properties of (1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
(1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol has a molecular weight of 185.27 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,7S,8S)-7-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol is sourced from PubChem (CID 71763389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).