2-[oxido(prop-2-enyl)amino]ethanol

C5H10NO2- — CID 88533004

IUPAC2-[oxido(prop-2-enyl)amino]ethanol
SMILESC=CCN([O-])CCO
InChIInChI=1S/C5H10NO2/c1-2-3-6(8)4-5-7/h2,7H,1,3-5H2/q-1
InChIKeyQUWQBGOHYIYJOF-UHFFFAOYSA-N
MW116.14 g/mol
LogP-0.04
Rot. Bonds4

About 2-[oxido(prop-2-enyl)amino]ethanol

2-[oxido(prop-2-enyl)amino]ethanol (PubChem CID 88533004) has the molecular formula C5H10NO2- and a molecular weight of 116.14 g/mol. Its IUPAC name is 2-[oxido(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[oxido(prop-2-enyl)amino]ethanol
PubChem CID88533004
Molecular FormulaC5H10NO2-
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name2-[oxido(prop-2-enyl)amino]ethanol
SMILESC=CCN([O-])CCO
InChIInChI=1S/C5H10NO2/c1-2-3-6(8)4-5-7/h2,7H,1,3-5H2/q-1
InChIKeyQUWQBGOHYIYJOF-UHFFFAOYSA-N
XLogP-0.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[oxido(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[oxido(prop-2-enyl)amino]ethanol (CID 88533004) is 2-[oxido(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[oxido(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[oxido(prop-2-enyl)amino]ethanol is C=CCN([O-])CCO.
What is the InChIKey of 2-[oxido(prop-2-enyl)amino]ethanol?
The InChIKey is QUWQBGOHYIYJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO2/c1-2-3-6(8)4-5-7/h2,7H,1,3-5H2/q-1.
What are the key properties of 2-[oxido(prop-2-enyl)amino]ethanol?
2-[oxido(prop-2-enyl)amino]ethanol has a molecular weight of 116.14 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxido(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 88533004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).