(1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol

C6H11NO2 — CID 67049909

IUPAC(1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol
SMILESNC[C@H](O)C1C=CCO1
InChIInChI=1S/C6H11NO2/c7-4-5(8)6-2-1-3-9-6/h1-2,5-6,8H,3-4,7H2/t5-,6?/m0/s1
InChIKeyULDOPPAZCQXBOZ-ZBHICJROSA-N
MW129.16 g/mol
LogP-0.74
Rot. Bonds2

About (1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol

(1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol (PubChem CID 67049909) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol
PubChem CID67049909
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol
SMILESNC[C@H](O)C1C=CCO1
InChIInChI=1S/C6H11NO2/c7-4-5(8)6-2-1-3-9-6/h1-2,5-6,8H,3-4,7H2/t5-,6?/m0/s1
InChIKeyULDOPPAZCQXBOZ-ZBHICJROSA-N
XLogP-0.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.74
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)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol?
The IUPAC name of (1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol (CID 67049909) is (1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol is NC[C@H](O)C1C=CCO1.
What is the InChIKey of (1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol?
The InChIKey is ULDOPPAZCQXBOZ-ZBHICJROSA-N. The full InChI is InChI=1S/C6H11NO2/c7-4-5(8)6-2-1-3-9-6/h1-2,5-6,8H,3-4,7H2/t5-,6?/m0/s1.
What are the key properties of (1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol?
(1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol has a molecular weight of 129.16 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol is sourced from PubChem (CID 67049909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).