[(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

C11H21NO2 — CID 170367510

IUPAC[(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCCOC[C@@H]1CC[C@]2(CO)CCCN12
InChIInChI=1S/C11H21NO2/c1-2-14-8-10-4-6-11(9-13)5-3-7-12(10)11/h10,13H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyQUELNQNIXKMJHV-QWRGUYRKSA-N
MW199.29 g/mol
LogP1.01
Rot. Bonds4

About [(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

[(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 170367510) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID170367510
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCCOC[C@@H]1CC[C@]2(CO)CCCN12
InChIInChI=1S/C11H21NO2/c1-2-14-8-10-4-6-11(9-13)5-3-7-12(10)11/h10,13H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyQUELNQNIXKMJHV-QWRGUYRKSA-N
XLogP1.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5S,6S)-5-(hydroxymethyl)-7,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-1,6-diol
CID 163672637
(3-(Fluoromethyl)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 154644059
(2-Fluoro-5-methyltetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 155487473
3-(Fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 156125538
(6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol
CID 167294905
((2R,7AR)-2-fluoro-5-methyltetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 168880850
[(2S)-2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 168880955
(2R)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 168881195
(3R,8R)-3-(difluoromethoxymethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168881223
[(2R)-2-fluoro-5-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 168881333
(2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 168881593
(3S,8S)-3-(fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169254800

Frequently Asked Questions

What is the IUPAC name of [(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of [(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 170367510) is [(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is CCOC[C@@H]1CC[C@]2(CO)CCCN12.
What is the InChIKey of [(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is QUELNQNIXKMJHV-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-8-10-4-6-11(9-13)5-3-7-12(10)11/h10,13H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of [(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
[(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol has a molecular weight of 199.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,8S)-3-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 170367510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).