1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol

C7H15NO2 — CID 18004267

IUPAC1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(C(C)O)C(C)O
InChIInChI=1S/C7H15NO2/c1-4-5-8(6(2)9)7(3)10/h4,6-7,9-10H,1,5H2,2-3H3
InChIKeyLSCYKFPMFLOGIB-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.15
Rot. Bonds4

About 1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol

1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol (PubChem CID 18004267) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol
PubChem CID18004267
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(C(C)O)C(C)O
InChIInChI=1S/C7H15NO2/c1-4-5-8(6(2)9)7(3)10/h4,6-7,9-10H,1,5H2,2-3H3
InChIKeyLSCYKFPMFLOGIB-UHFFFAOYSA-N
XLogP0.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol (CID 18004267) is 1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol is C=CCN(C(C)O)C(C)O.
What is the InChIKey of 1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol?
The InChIKey is LSCYKFPMFLOGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-5-8(6(2)9)7(3)10/h4,6-7,9-10H,1,5H2,2-3H3.
What are the key properties of 1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol?
1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol has a molecular weight of 145.20 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxyethyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 18004267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).