2-morpholin-3-ylethanol

C6H13NO2 — CID 53421081

IUPAC2-morpholin-3-ylethanol
SMILESOCCC1COCCN1
InChIInChI=1S/C6H13NO2/c8-3-1-6-5-9-4-2-7-6/h6-8H,1-5H2
InChIKeyTVPDWWYLCZDJKD-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.64
Rot. Bonds2

About 2-morpholin-3-ylethanol

2-morpholin-3-ylethanol (PubChem CID 53421081) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-morpholin-3-ylethanol.

Molecular Properties

Compound Name2-morpholin-3-ylethanol
PubChem CID53421081
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-morpholin-3-ylethanol
SMILESOCCC1COCCN1
InChIInChI=1S/C6H13NO2/c8-3-1-6-5-9-4-2-7-6/h6-8H,1-5H2
InChIKeyTVPDWWYLCZDJKD-UHFFFAOYSA-N
XLogP-0.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-ylethanol?
The IUPAC name of 2-morpholin-3-ylethanol (CID 53421081) is 2-morpholin-3-ylethanol.
What is the SMILES notation for 2-morpholin-3-ylethanol?
The canonical SMILES for 2-morpholin-3-ylethanol is OCCC1COCCN1.
What is the InChIKey of 2-morpholin-3-ylethanol?
The InChIKey is TVPDWWYLCZDJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-3-1-6-5-9-4-2-7-6/h6-8H,1-5H2.
What are the key properties of 2-morpholin-3-ylethanol?
2-morpholin-3-ylethanol has a molecular weight of 131.18 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-ylethanol is sourced from PubChem (CID 53421081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).