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

C6H13NO2 — CID 141363239

IUPAC2-(2-hydroxyethylamino)but-2-en-1-ol
SMILESCC=C(CO)NCCO
InChIInChI=1S/C6H13NO2/c1-2-6(5-9)7-3-4-8/h2,7-9H,3-5H2,1H3
InChIKeyXCDUUVKROPQLRM-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.54
Rot. Bonds4

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

2-(2-hydroxyethylamino)but-2-en-1-ol (PubChem CID 141363239) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)but-2-en-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)but-2-en-1-ol
PubChem CID141363239
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-(2-hydroxyethylamino)but-2-en-1-ol
SMILESCC=C(CO)NCCO
InChIInChI=1S/C6H13NO2/c1-2-6(5-9)7-3-4-8/h2,7-9H,3-5H2,1H3
InChIKeyXCDUUVKROPQLRM-UHFFFAOYSA-N
XLogP-0.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)but-2-en-1-ol?
The IUPAC name of 2-(2-hydroxyethylamino)but-2-en-1-ol (CID 141363239) is 2-(2-hydroxyethylamino)but-2-en-1-ol.
What is the SMILES notation for 2-(2-hydroxyethylamino)but-2-en-1-ol?
The canonical SMILES for 2-(2-hydroxyethylamino)but-2-en-1-ol is CC=C(CO)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)but-2-en-1-ol?
The InChIKey is XCDUUVKROPQLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-6(5-9)7-3-4-8/h2,7-9H,3-5H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)but-2-en-1-ol?
2-(2-hydroxyethylamino)but-2-en-1-ol has a molecular weight of 131.18 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)but-2-en-1-ol is sourced from PubChem (CID 141363239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).