2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol

C8H15NO3 — CID 162353629

IUPAC2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol
SMILESOCCN1CC2OCCOC2C1
InChIInChI=1S/C8H15NO3/c10-2-1-9-5-7-8(6-9)12-4-3-11-7/h7-8,10H,1-6H2
InChIKeyUJMXVSVRKCKMHH-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.92
Rot. Bonds2

About 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol

2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol (PubChem CID 162353629) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol
PubChem CID162353629
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol
SMILESOCCN1CC2OCCOC2C1
InChIInChI=1S/C8H15NO3/c10-2-1-9-5-7-8(6-9)12-4-3-11-7/h7-8,10H,1-6H2
InChIKeyUJMXVSVRKCKMHH-UHFFFAOYSA-N
XLogP-0.92
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol?
The IUPAC name of 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol (CID 162353629) is 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol.
What is the SMILES notation for 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol?
The canonical SMILES for 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol is OCCN1CC2OCCOC2C1.
What is the InChIKey of 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol?
The InChIKey is UJMXVSVRKCKMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-2-1-9-5-7-8(6-9)12-4-3-11-7/h7-8,10H,1-6H2.
What are the key properties of 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol?
2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol has a molecular weight of 173.21 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)ethanol is sourced from PubChem (CID 162353629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).