(E)-4-(methylamino)but-2-en-1-ol

C5H11NO — CID 11083838

IUPAC(E)-4-(methylamino)but-2-en-1-ol
SMILESCNC/C=C/CO
InChIInChI=1S/C5H11NO/c1-6-4-2-3-5-7/h2-3,6-7H,4-5H2,1H3/b3-2+
InChIKeyQGQWPRACRGTKCQ-NSCUHMNNSA-N
MW101.15 g/mol
LogP-0.25
Rot. Bonds3

About (E)-4-(methylamino)but-2-en-1-ol

(E)-4-(methylamino)but-2-en-1-ol (PubChem CID 11083838) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (E)-4-(methylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(methylamino)but-2-en-1-ol
PubChem CID11083838
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(E)-4-(methylamino)but-2-en-1-ol
SMILESCNC/C=C/CO
InChIInChI=1S/C5H11NO/c1-6-4-2-3-5-7/h2-3,6-7H,4-5H2,1H3/b3-2+
InChIKeyQGQWPRACRGTKCQ-NSCUHMNNSA-N
XLogP-0.25
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 ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(methylamino)but-2-en-1-ol?
The IUPAC name of (E)-4-(methylamino)but-2-en-1-ol (CID 11083838) is (E)-4-(methylamino)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(methylamino)but-2-en-1-ol?
The canonical SMILES for (E)-4-(methylamino)but-2-en-1-ol is CNC/C=C/CO.
What is the InChIKey of (E)-4-(methylamino)but-2-en-1-ol?
The InChIKey is QGQWPRACRGTKCQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H11NO/c1-6-4-2-3-5-7/h2-3,6-7H,4-5H2,1H3/b3-2+.
What are the key properties of (E)-4-(methylamino)but-2-en-1-ol?
(E)-4-(methylamino)but-2-en-1-ol has a molecular weight of 101.15 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(methylamino)but-2-en-1-ol is sourced from PubChem (CID 11083838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).