[[(E)-but-1-enyl]amino]methanol

C5H11NO — CID 163632276

IUPAC[[(E)-but-1-enyl]amino]methanol
SMILESCC/C=C/NCO
InChIInChI=1S/C5H11NO/c1-2-3-4-6-5-7/h3-4,6-7H,2,5H2,1H3/b4-3+
InChIKeyHXDVMNPYGVYXBM-ONEGZZNKSA-N
MW101.15 g/mol
LogP0.45
Rot. Bonds3

About [[(E)-but-1-enyl]amino]methanol

[[(E)-but-1-enyl]amino]methanol (PubChem CID 163632276) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is [[(E)-but-1-enyl]amino]methanol.

Molecular Properties

Compound Name[[(E)-but-1-enyl]amino]methanol
PubChem CID163632276
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name[[(E)-but-1-enyl]amino]methanol
SMILESCC/C=C/NCO
InChIInChI=1S/C5H11NO/c1-2-3-4-6-5-7/h3-4,6-7H,2,5H2,1H3/b4-3+
InChIKeyHXDVMNPYGVYXBM-ONEGZZNKSA-N
XLogP0.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [[(E)-but-1-enyl]amino]methanol?
The IUPAC name of [[(E)-but-1-enyl]amino]methanol (CID 163632276) is [[(E)-but-1-enyl]amino]methanol.
What is the SMILES notation for [[(E)-but-1-enyl]amino]methanol?
The canonical SMILES for [[(E)-but-1-enyl]amino]methanol is CC/C=C/NCO.
What is the InChIKey of [[(E)-but-1-enyl]amino]methanol?
The InChIKey is HXDVMNPYGVYXBM-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-3-4-6-5-7/h3-4,6-7H,2,5H2,1H3/b4-3+.
What are the key properties of [[(E)-but-1-enyl]amino]methanol?
[[(E)-but-1-enyl]amino]methanol has a molecular weight of 101.15 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-but-1-enyl]amino]methanol is sourced from PubChem (CID 163632276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).