(Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol

C5H11NO2 — CID 163603852

IUPAC(Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol
SMILESC/C=C(\O)CN(C)O
InChIInChI=1S/C5H11NO2/c1-3-5(7)4-6(2)8/h3,7-8H,4H2,1-2H3/b5-3-
InChIKeyHABPDHWXQQKTHJ-HYXAFXHYSA-N
MW117.15 g/mol
LogP0.77
Rot. Bonds2

About (Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol

(Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol (PubChem CID 163603852) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol.

Molecular Properties

Compound Name(Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol
PubChem CID163603852
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol
SMILESC/C=C(\O)CN(C)O
InChIInChI=1S/C5H11NO2/c1-3-5(7)4-6(2)8/h3,7-8H,4H2,1-2H3/b5-3-
InChIKeyHABPDHWXQQKTHJ-HYXAFXHYSA-N
XLogP0.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

3-(dimethylamino)prop-1-ene-1,2-diol
CID 89182379
N-methyl-N-(2-methylprop-2-enyl)hydroxylamine
CID 102036894
(E)-3-hydroxypent-3-enal
CID 142089411
(Z)-4-(dimethylamino)-1-(methylamino)but-1-en-2-ol
CID 143732022
N-methyl-N-[(Z)-prop-1-enyl]hydroxylamine
CID 144947013
carbanide;N,N,2-trimethylbut-2-en-1-amine;yttrium
CID 58133141
2-[but-2-enoyl(methyl)amino]acetic acid
CID 74314380
(E)-N,N-dimethyl-2-phenylbut-2-en-1-amine
CID 13167145
dimethylaminomethanol;zinc
CID 87991931
2-[hydroxy(methyl)amino]ethanimidamide
CID 87382268
(Z,2E)-2-ethylidene-N,N-dimethylpent-3-en-1-amine
CID 156713234
(Z)-pentadec-2-en-3-ol
CID 141060609

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol?
The IUPAC name of (Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol (CID 163603852) is (Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol.
What is the SMILES notation for (Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol?
The canonical SMILES for (Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol is C/C=C(\O)CN(C)O.
What is the InChIKey of (Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol?
The InChIKey is HABPDHWXQQKTHJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-5(7)4-6(2)8/h3,7-8H,4H2,1-2H3/b5-3-.
What are the key properties of (Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol?
(Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol has a molecular weight of 117.15 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[hydroxy(methyl)amino]but-2-en-2-ol is sourced from PubChem (CID 163603852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).