[1-methoxyethenyl(methyl)amino]methanol

C5H11NO2 — CID 58422591

IUPAC[1-methoxyethenyl(methyl)amino]methanol
SMILESC=C(OC)N(C)CO
InChIInChI=1S/C5H11NO2/c1-5(8-3)6(2)4-7/h7H,1,4H2,2-3H3
InChIKeyVLWRZKNYFYTVAZ-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.01
Rot. Bonds3

About [1-methoxyethenyl(methyl)amino]methanol

[1-methoxyethenyl(methyl)amino]methanol (PubChem CID 58422591) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is [1-methoxyethenyl(methyl)amino]methanol.

Molecular Properties

Compound Name[1-methoxyethenyl(methyl)amino]methanol
PubChem CID58422591
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name[1-methoxyethenyl(methyl)amino]methanol
SMILESC=C(OC)N(C)CO
InChIInChI=1S/C5H11NO2/c1-5(8-3)6(2)4-7/h7H,1,4H2,2-3H3
InChIKeyVLWRZKNYFYTVAZ-UHFFFAOYSA-N
XLogP-0.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-N,N-dimethylethen-1-amine
CID 13284466
1-Hydroxyethenyl-(hydroxymethyl)-dimethylazanium
CID 18736416
1-[1-Hydroxyethenyl(methyl)amino]ethenol
CID 72508075
2-[1-Methoxyethenyl(methyl)amino]ethanol
CID 89417630
1-Methoxyethenyl(trimethyl)azanium
CID 102445678
1-Hydroxyethenyl-(hydroxymethyl)-dimethylazanium;molecular hydrogen;chloride
CID 159866573
1-methoxy-N-(methoxymethyl)-N-methylethenamine
CID 144467039

Frequently Asked Questions

What is the IUPAC name of [1-methoxyethenyl(methyl)amino]methanol?
The IUPAC name of [1-methoxyethenyl(methyl)amino]methanol (CID 58422591) is [1-methoxyethenyl(methyl)amino]methanol.
What is the SMILES notation for [1-methoxyethenyl(methyl)amino]methanol?
The canonical SMILES for [1-methoxyethenyl(methyl)amino]methanol is C=C(OC)N(C)CO.
What is the InChIKey of [1-methoxyethenyl(methyl)amino]methanol?
The InChIKey is VLWRZKNYFYTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(8-3)6(2)4-7/h7H,1,4H2,2-3H3.
What are the key properties of [1-methoxyethenyl(methyl)amino]methanol?
[1-methoxyethenyl(methyl)amino]methanol has a molecular weight of 117.15 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxyethenyl(methyl)amino]methanol is sourced from PubChem (CID 58422591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).