(E)-4-amino-N-methylbut-2-enamide;hydrochloride

C5H11ClN2O — CID 122243080

IUPAC(E)-4-amino-N-methylbut-2-enamide;hydrochloride
SMILESCNC(=O)/C=C/CN.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-7-5(8)3-2-4-6;/h2-3H,4,6H2,1H3,(H,7,8);1H/b3-2+;
InChIKeyFCUIGYUGLHURJC-SQQVDAMQSA-N
MW150.61 g/mol
LogP-0.33
Rot. Bonds2

About (E)-4-amino-N-methylbut-2-enamide;hydrochloride

(E)-4-amino-N-methylbut-2-enamide;hydrochloride (PubChem CID 122243080) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is (E)-4-amino-N-methylbut-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-4-amino-N-methylbut-2-enamide;hydrochloride
PubChem CID122243080
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name(E)-4-amino-N-methylbut-2-enamide;hydrochloride
SMILESCNC(=O)/C=C/CN.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-7-5(8)3-2-4-6;/h2-3H,4,6H2,1H3,(H,7,8);1H/b3-2+;
InChIKeyFCUIGYUGLHURJC-SQQVDAMQSA-N
XLogP-0.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-N-methylbut-2-enamide;hydrochloride?
The IUPAC name of (E)-4-amino-N-methylbut-2-enamide;hydrochloride (CID 122243080) is (E)-4-amino-N-methylbut-2-enamide;hydrochloride.
What is the SMILES notation for (E)-4-amino-N-methylbut-2-enamide;hydrochloride?
The canonical SMILES for (E)-4-amino-N-methylbut-2-enamide;hydrochloride is CNC(=O)/C=C/CN.Cl.
What is the InChIKey of (E)-4-amino-N-methylbut-2-enamide;hydrochloride?
The InChIKey is FCUIGYUGLHURJC-SQQVDAMQSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c1-7-5(8)3-2-4-6;/h2-3H,4,6H2,1H3,(H,7,8);1H/b3-2+;.
What are the key properties of (E)-4-amino-N-methylbut-2-enamide;hydrochloride?
(E)-4-amino-N-methylbut-2-enamide;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N-methylbut-2-enamide;hydrochloride is sourced from PubChem (CID 122243080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).