2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol

C8H17NO2 — CID 62022286

IUPAC2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol
SMILESC/C=C/CN(CCO)CCO
InChIInChI=1S/C8H17NO2/c1-2-3-4-9(5-7-10)6-8-11/h2-3,10-11H,4-8H2,1H3/b3-2+
InChIKeyLILKLRXRCHMFHG-NSCUHMNNSA-N
MW159.23 g/mol
LogP-0.15
Rot. Bonds6

About 2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol

2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 62022286) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID62022286
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol
SMILESC/C=C/CN(CCO)CCO
InChIInChI=1S/C8H17NO2/c1-2-3-4-9(5-7-10)6-8-11/h2-3,10-11H,4-8H2,1H3/b3-2+
InChIKeyLILKLRXRCHMFHG-NSCUHMNNSA-N
XLogP-0.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.15
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 2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol (CID 62022286) is 2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol is C/C=C/CN(CCO)CCO.
What is the InChIKey of 2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is LILKLRXRCHMFHG-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-4-9(5-7-10)6-8-11/h2-3,10-11H,4-8H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol?
2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 159.23 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 62022286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).