2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol

C10H17NO2 — CID 175976058

IUPAC2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol
SMILESOCC[C@H]1[C@@H](CO)CC2=CCCN21
InChIInChI=1S/C10H17NO2/c12-5-3-10-8(7-13)6-9-2-1-4-11(9)10/h2,8,10,12-13H,1,3-7H2/t8-,10+/m1/s1
InChIKeyJXSFQOJQPVMTQA-SCZZXKLOSA-N
MW183.25 g/mol
LogP0.34
Rot. Bonds3

About 2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol

2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol (PubChem CID 175976058) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol
PubChem CID175976058
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol
SMILESOCC[C@H]1[C@@H](CO)CC2=CCCN21
InChIInChI=1S/C10H17NO2/c12-5-3-10-8(7-13)6-9-2-1-4-11(9)10/h2,8,10,12-13H,1,3-7H2/t8-,10+/m1/s1
InChIKeyJXSFQOJQPVMTQA-SCZZXKLOSA-N
XLogP0.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol?
The IUPAC name of 2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol (CID 175976058) is 2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol.
What is the SMILES notation for 2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol?
The canonical SMILES for 2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol is OCC[C@H]1[C@@H](CO)CC2=CCCN21.
What is the InChIKey of 2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol?
The InChIKey is JXSFQOJQPVMTQA-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H17NO2/c12-5-3-10-8(7-13)6-9-2-1-4-11(9)10/h2,8,10,12-13H,1,3-7H2/t8-,10+/m1/s1.
What are the key properties of 2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol?
2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-2-(hydroxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizin-3-yl]ethanol is sourced from PubChem (CID 175976058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).