2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol

C7H13NO2 — CID 91144788

IUPAC2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol
SMILESOCCNC1=CCOCC1
InChIInChI=1S/C7H13NO2/c9-4-3-8-7-1-5-10-6-2-7/h1,8-9H,2-6H2
InChIKeyLQJJRBISBRZUGK-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.13
Rot. Bonds3

About 2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol

2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol (PubChem CID 91144788) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol
PubChem CID91144788
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol
SMILESOCCNC1=CCOCC1
InChIInChI=1S/C7H13NO2/c9-4-3-8-7-1-5-10-6-2-7/h1,8-9H,2-6H2
InChIKeyLQJJRBISBRZUGK-UHFFFAOYSA-N
XLogP-0.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol (CID 91144788) is 2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol is OCCNC1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol?
The InChIKey is LQJJRBISBRZUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-4-3-8-7-1-5-10-6-2-7/h1,8-9H,2-6H2.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol?
2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol has a molecular weight of 143.19 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol is sourced from PubChem (CID 91144788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).