2-(2-hydroxyethylamino)but-3-en-1-ol

C6H13NO2 — CID 19018089

IUPAC2-(2-hydroxyethylamino)but-3-en-1-ol
SMILESC=CC(CO)NCCO
InChIInChI=1S/C6H13NO2/c1-2-6(5-9)7-3-4-8/h2,6-9H,1,3-5H2
InChIKeyLRXBIFYDXHSBMY-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.88
Rot. Bonds5

About 2-(2-hydroxyethylamino)but-3-en-1-ol

2-(2-hydroxyethylamino)but-3-en-1-ol (PubChem CID 19018089) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)but-3-en-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)but-3-en-1-ol
PubChem CID19018089
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-(2-hydroxyethylamino)but-3-en-1-ol
SMILESC=CC(CO)NCCO
InChIInChI=1S/C6H13NO2/c1-2-6(5-9)7-3-4-8/h2,6-9H,1,3-5H2
InChIKeyLRXBIFYDXHSBMY-UHFFFAOYSA-N
XLogP-0.88
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
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 2-(2-hydroxyethylamino)but-3-en-1-ol?
The IUPAC name of 2-(2-hydroxyethylamino)but-3-en-1-ol (CID 19018089) is 2-(2-hydroxyethylamino)but-3-en-1-ol.
What is the SMILES notation for 2-(2-hydroxyethylamino)but-3-en-1-ol?
The canonical SMILES for 2-(2-hydroxyethylamino)but-3-en-1-ol is C=CC(CO)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)but-3-en-1-ol?
The InChIKey is LRXBIFYDXHSBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-6(5-9)7-3-4-8/h2,6-9H,1,3-5H2.
What are the key properties of 2-(2-hydroxyethylamino)but-3-en-1-ol?
2-(2-hydroxyethylamino)but-3-en-1-ol has a molecular weight of 131.18 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)but-3-en-1-ol is sourced from PubChem (CID 19018089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).