(1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol

C9H15NO2 — CID 130928605

IUPAC(1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol
SMILESC[C@]12C(CO)=CCN1CC[C@H]2O
InChIInChI=1S/C9H15NO2/c1-9-7(6-11)2-4-10(9)5-3-8(9)12/h2,8,11-12H,3-6H2,1H3/t8-,9-/m1/s1
InChIKeyHDOOKCYZGHSBMM-RKDXNWHRSA-N
MW169.22 g/mol
LogP-0.26
Rot. Bonds1

About (1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol

(1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol (PubChem CID 130928605) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol.

Molecular Properties

Compound Name(1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol
PubChem CID130928605
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol
SMILESC[C@]12C(CO)=CCN1CC[C@H]2O
InChIInChI=1S/C9H15NO2/c1-9-7(6-11)2-4-10(9)5-3-8(9)12/h2,8,11-12H,3-6H2,1H3/t8-,9-/m1/s1
InChIKeyHDOOKCYZGHSBMM-RKDXNWHRSA-N
XLogP-0.26
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Retronecine
CID 10198
Heliotridine
CID 442736
1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-hydroxy-, (1S-cis)-
CID 10626
Heliotridine hydrochloride
CID 203851
(1S,2R,7aR)-2,3,5,7a-Tetrahydro-7-(hydroxymethyl)-1H-pyrrolizine-1,2-diol
CID 394146
Retronecine hydrochloride
CID 72611
1h-Pyrrolizin-1-ol, 2,3,5,7a-tetrahydro-7-(methoxymethyl)-, (1R-trans)-
CID 73759925
Otonecine
CID 101286187
(1S,8S)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
CID 933003
Heliotridine, (-)-
CID 5458662
Retronecine N-oxide
CID 15559785
7-(Hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol
CID 72612

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol?
The IUPAC name of (1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol (CID 130928605) is (1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol.
What is the SMILES notation for (1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol?
The canonical SMILES for (1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol is C[C@]12C(CO)=CCN1CC[C@H]2O.
What is the InChIKey of (1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol?
The InChIKey is HDOOKCYZGHSBMM-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9-7(6-11)2-4-10(9)5-3-8(9)12/h2,8,11-12H,3-6H2,1H3/t8-,9-/m1/s1.
What are the key properties of (1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol?
(1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol has a molecular weight of 169.22 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-7-(hydroxymethyl)-8-methyl-1,2,3,5-tetrahydropyrrolizin-1-ol is sourced from PubChem (CID 130928605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).