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

C9H17NO2 — CID 91753265

IUPAC(1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
SMILESCOCC1CCN2CC[C@H](O)[C@@H]12
InChIInChI=1S/C9H17NO2/c1-12-6-7-2-4-10-5-3-8(11)9(7)10/h7-9,11H,2-6H2,1H3/t7?,8-,9+/m0/s1
InChIKeySOCHNDUJXVADAC-SXNZSPLWSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds2

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

(1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol (PubChem CID 91753265) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol.

Molecular Properties

Compound Name(1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
PubChem CID91753265
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
SMILESCOCC1CCN2CC[C@H](O)[C@@H]12
InChIInChI=1S/C9H17NO2/c1-12-6-7-2-4-10-5-3-8(11)9(7)10/h7-9,11H,2-6H2,1H3/t7?,8-,9+/m0/s1
InChIKeySOCHNDUJXVADAC-SXNZSPLWSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
The IUPAC name of (1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol (CID 91753265) is (1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol.
What is the SMILES notation for (1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
The canonical SMILES for (1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol is COCC1CCN2CC[C@H](O)[C@@H]12.
What is the InChIKey of (1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
The InChIKey is SOCHNDUJXVADAC-SXNZSPLWSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-6-7-2-4-10-5-3-8(11)9(7)10/h7-9,11H,2-6H2,1H3/t7?,8-,9+/m0/s1.
What are the key properties of (1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol?
(1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol has a molecular weight of 171.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-7-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol is sourced from PubChem (CID 91753265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).