3-[ethyl(hydroxy)amino]prop-1-en-1-ol

C5H11NO2 — CID 173045375

IUPAC3-[ethyl(hydroxy)amino]prop-1-en-1-ol
SMILESCCN(O)CC=CO
InChIInChI=1S/C5H11NO2/c1-2-6(8)4-3-5-7/h3,5,7-8H,2,4H2,1H3
InChIKeyKJIZTQMWFKPPKM-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.77
Rot. Bonds3

About 3-[ethyl(hydroxy)amino]prop-1-en-1-ol

3-[ethyl(hydroxy)amino]prop-1-en-1-ol (PubChem CID 173045375) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-[ethyl(hydroxy)amino]prop-1-en-1-ol.

Molecular Properties

Compound Name3-[ethyl(hydroxy)amino]prop-1-en-1-ol
PubChem CID173045375
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name3-[ethyl(hydroxy)amino]prop-1-en-1-ol
SMILESCCN(O)CC=CO
InChIInChI=1S/C5H11NO2/c1-2-6(8)4-3-5-7/h3,5,7-8H,2,4H2,1H3
InChIKeyKJIZTQMWFKPPKM-UHFFFAOYSA-N
XLogP0.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-Hydroxyethyl(prop-2-enyl)amino]ethanol
CID 18004267
(E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol
CID 18683851
N-(1-ethoxyethyl)-N-prop-2-enylhydroxylamine
CID 20399566
3H-1,2-oxazol-2-ylmethanol
CID 22008854
2-ethyl-3H-1,2-oxazole
CID 68839688
3-[3-Hydroxyprop-2-enyl(methyl)amino]prop-1-en-1-ol
CID 73456272
N,N-bis(2-hydroxyethyl)prop-2-en-1-amine oxide
CID 87074727
2-[Hydroxy(prop-2-enyl)amino]ethanol
CID 87309854
N,N-bis(1-hydroxyethyl)prop-2-en-1-amine oxide
CID 87329967
1-hydroxy-N-(1-hydroxypropyl)-N-prop-2-enylpropan-1-amine oxide
CID 87575823
1-hydroxy-N-(1-hydroxyprop-2-enyl)-N-prop-2-enylprop-2-en-1-amine oxide
CID 87718349
1-[Hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol
CID 87731926

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(hydroxy)amino]prop-1-en-1-ol?
The IUPAC name of 3-[ethyl(hydroxy)amino]prop-1-en-1-ol (CID 173045375) is 3-[ethyl(hydroxy)amino]prop-1-en-1-ol.
What is the SMILES notation for 3-[ethyl(hydroxy)amino]prop-1-en-1-ol?
The canonical SMILES for 3-[ethyl(hydroxy)amino]prop-1-en-1-ol is CCN(O)CC=CO.
What is the InChIKey of 3-[ethyl(hydroxy)amino]prop-1-en-1-ol?
The InChIKey is KJIZTQMWFKPPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-6(8)4-3-5-7/h3,5,7-8H,2,4H2,1H3.
What are the key properties of 3-[ethyl(hydroxy)amino]prop-1-en-1-ol?
3-[ethyl(hydroxy)amino]prop-1-en-1-ol has a molecular weight of 117.15 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(hydroxy)amino]prop-1-en-1-ol is sourced from PubChem (CID 173045375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).