[6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol

C9H17NO2 — CID 91478268

IUPAC[6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
SMILESOCC1CC2CC(CO)CN2C1
InChIInChI=1S/C9H17NO2/c11-5-7-1-9-2-8(6-12)4-10(9)3-7/h7-9,11-12H,1-6H2
InChIKeyXRXUVQLTROGHLO-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.32
Rot. Bonds2

About [6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol

[6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol (PubChem CID 91478268) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
PubChem CID91478268
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
SMILESOCC1CC2CC(CO)CN2C1
InChIInChI=1S/C9H17NO2/c11-5-7-1-9-2-8(6-12)4-10(9)3-7/h7-9,11-12H,1-6H2
InChIKeyXRXUVQLTROGHLO-UHFFFAOYSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Isoretronecanol
CID 3080563
(-)-Trachelanthamidine
CID 188288
Lindelofidine
CID 11126361
(hexahydro-1H-pyrrolizin-1-yl)methanol
CID 544380
(+)-Trachelanthamidine
CID 94259
r-Hydroxymethylpyrrolizidine
CID 91746611
(hexahydro-1H-pyrrolizin-1-yl)methanol hydrochloride
CID 155858889
[(1R)-6,6-difluoro-1,2,3,5,7,8-hexahydropyrrolizin-1-yl]methanol
CID 118109121
[(2S,6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
CID 170005038
[(1R,2R)-2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
CID 171756880
[(1S,6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
CID 172513105
[(6R)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
CID 176289279

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol (CID 91478268) is [6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol is OCC1CC2CC(CO)CN2C1.
What is the InChIKey of [6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol?
The InChIKey is XRXUVQLTROGHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-5-7-1-9-2-8(6-12)4-10(9)3-7/h7-9,11-12H,1-6H2.
What are the key properties of [6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol?
[6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol has a molecular weight of 171.24 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol is sourced from PubChem (CID 91478268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).