(1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol

C7H13NO2 — CID 70239049

IUPAC(1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol
SMILESCNC[C@H](O)[C@@H]1C=CCO1
InChIInChI=1S/C7H13NO2/c1-8-5-6(9)7-3-2-4-10-7/h2-3,6-9H,4-5H2,1H3/t6-,7-/m0/s1
InChIKeySUKIQWORCOMDRY-BQBZGAKWSA-N
MW143.19 g/mol
LogP-0.48
Rot. Bonds3

About (1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol

(1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol (PubChem CID 70239049) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol
PubChem CID70239049
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol
SMILESCNC[C@H](O)[C@@H]1C=CCO1
InChIInChI=1S/C7H13NO2/c1-8-5-6(9)7-3-2-4-10-7/h2-3,6-9H,4-5H2,1H3/t6-,7-/m0/s1
InChIKeySUKIQWORCOMDRY-BQBZGAKWSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol?
The IUPAC name of (1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol (CID 70239049) is (1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol.
What is the SMILES notation for (1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol?
The canonical SMILES for (1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol is CNC[C@H](O)[C@@H]1C=CCO1.
What is the InChIKey of (1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol?
The InChIKey is SUKIQWORCOMDRY-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-5-6(9)7-3-2-4-10-7/h2-3,6-9H,4-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol?
(1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol has a molecular weight of 143.19 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-2,5-dihydrofuran-2-yl]-2-(methylamino)ethanol is sourced from PubChem (CID 70239049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).