(1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol

C8H15NO2 — CID 11457819

IUPAC(1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
SMILESOC[C@H]1[C@H](O)CN2CCC[C@H]12
InChIInChI=1S/C8H15NO2/c10-5-6-7-2-1-3-9(7)4-8(6)11/h6-8,10-11H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyYEZAXZZXDSQLIA-BWZBUEFSSA-N
MW157.21 g/mol
LogP-0.57
Rot. Bonds1

About (1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol

(1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol (PubChem CID 11457819) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol.

Molecular Properties

Compound Name(1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
PubChem CID11457819
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
SMILESOC[C@H]1[C@H](O)CN2CCC[C@H]12
InChIInChI=1S/C8H15NO2/c10-5-6-7-2-1-3-9(7)4-8(6)11/h6-8,10-11H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyYEZAXZZXDSQLIA-BWZBUEFSSA-N
XLogP-0.57
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol?
The IUPAC name of (1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol (CID 11457819) is (1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol.
What is the SMILES notation for (1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol?
The canonical SMILES for (1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol is OC[C@H]1[C@H](O)CN2CCC[C@H]12.
What is the InChIKey of (1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol?
The InChIKey is YEZAXZZXDSQLIA-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H15NO2/c10-5-6-7-2-1-3-9(7)4-8(6)11/h6-8,10-11H,1-5H2/t6-,7-,8-/m1/s1.
What are the key properties of (1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol?
(1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol has a molecular weight of 157.21 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol is sourced from PubChem (CID 11457819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).