(E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol

C4H9NO2 — CID 163490166

IUPAC(E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol
SMILESC/C(=C\O)N(C)O
InChIInChI=1S/C4H9NO2/c1-4(3-6)5(2)7/h3,6-7H,1-2H3/b4-3+
InChIKeyCLXNOBHTAQAGAK-ONEGZZNKSA-N
MW103.12 g/mol
LogP0.73
Rot. Bonds1

About (E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol

(E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol (PubChem CID 163490166) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol.

Molecular Properties

Compound Name(E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol
PubChem CID163490166
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol
SMILESC/C(=C\O)N(C)O
InChIInChI=1S/C4H9NO2/c1-4(3-6)5(2)7/h3,6-7H,1-2H3/b4-3+
InChIKeyCLXNOBHTAQAGAK-ONEGZZNKSA-N
XLogP0.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 50.73
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol?
The IUPAC name of (E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol (CID 163490166) is (E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol.
What is the SMILES notation for (E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol?
The canonical SMILES for (E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol is C/C(=C\O)N(C)O.
What is the InChIKey of (E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol?
The InChIKey is CLXNOBHTAQAGAK-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H9NO2/c1-4(3-6)5(2)7/h3,6-7H,1-2H3/b4-3+.
What are the key properties of (E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol?
(E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol has a molecular weight of 103.12 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[hydroxy(methyl)amino]prop-1-en-1-ol is sourced from PubChem (CID 163490166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).