[[(E)-but-2-en-2-yl]amino]methanol

C5H11NO — CID 130429621

IUPAC[[(E)-but-2-en-2-yl]amino]methanol
SMILESC/C=C(\C)NCO
InChIInChI=1S/C5H11NO/c1-3-5(2)6-4-7/h3,6-7H,4H2,1-2H3/b5-3+
InChIKeyZYAHNIRAIPTDAK-HWKANZROSA-N
MW101.15 g/mol
LogP0.45
Rot. Bonds2

About [[(E)-but-2-en-2-yl]amino]methanol

[[(E)-but-2-en-2-yl]amino]methanol (PubChem CID 130429621) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is [[(E)-but-2-en-2-yl]amino]methanol.

Molecular Properties

Compound Name[[(E)-but-2-en-2-yl]amino]methanol
PubChem CID130429621
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name[[(E)-but-2-en-2-yl]amino]methanol
SMILESC/C=C(\C)NCO
InChIInChI=1S/C5H11NO/c1-3-5(2)6-4-7/h3,6-7H,4H2,1-2H3/b5-3+
InChIKeyZYAHNIRAIPTDAK-HWKANZROSA-N
XLogP0.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-but-2-en-2-yl]amino]ethanol
CID 118563699
(E)-N-ethylbut-2-en-2-amine
CID 18734703
N-[(Z)-but-2-en-2-yl]-2-methylidenebutan-1-amine
CID 138749552
N'-[(Z)-but-2-en-2-yl]ethane-1,2-diamine
CID 55288959
(Z)-N-(methoxymethyl)but-2-en-2-amine
CID 163470878
1-N-[(E)-but-2-en-2-yl]-2-N,2-dimethylpropane-1,2-diamine
CID 163944896
N-[2-[[(Z)-but-2-en-2-yl]amino]ethyl]formamide
CID 156718256
ethylidenechromium;pentane-2,4-dione
CID 175183732
(Z)-N-prop-1-en-2-ylbut-2-en-2-amine
CID 142199904
(Z)-N-[(Z)-but-2-en-2-yl]but-2-enamide
CID 130459282
acetaldehyde;ethanol;methanol
CID 159165678
[[(Z)-2-(methylamino)pent-2-en-3-yl]amino]methanol
CID 154981884

Frequently Asked Questions

What is the IUPAC name of [[(E)-but-2-en-2-yl]amino]methanol?
The IUPAC name of [[(E)-but-2-en-2-yl]amino]methanol (CID 130429621) is [[(E)-but-2-en-2-yl]amino]methanol.
What is the SMILES notation for [[(E)-but-2-en-2-yl]amino]methanol?
The canonical SMILES for [[(E)-but-2-en-2-yl]amino]methanol is C/C=C(\C)NCO.
What is the InChIKey of [[(E)-but-2-en-2-yl]amino]methanol?
The InChIKey is ZYAHNIRAIPTDAK-HWKANZROSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h3,6-7H,4H2,1-2H3/b5-3+.
What are the key properties of [[(E)-but-2-en-2-yl]amino]methanol?
[[(E)-but-2-en-2-yl]amino]methanol has a molecular weight of 101.15 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-but-2-en-2-yl]amino]methanol is sourced from PubChem (CID 130429621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).