4-aminobut-2-enamide;hydrochloride

C4H9ClN2O — CID 171148089

IUPAC4-aminobut-2-enamide;hydrochloride
SMILESCl.NCC=CC(N)=O
InChIInChI=1S/C4H8N2O.ClH/c5-3-1-2-4(6)7;/h1-2H,3,5H2,(H2,6,7);1H
InChIKeyZNZUZMNEYUKYST-UHFFFAOYSA-N
MW136.58 g/mol
LogP-0.59
Rot. Bonds2

About 4-aminobut-2-enamide;hydrochloride

4-aminobut-2-enamide;hydrochloride (PubChem CID 171148089) has the molecular formula C4H9ClN2O and a molecular weight of 136.58 g/mol. Its IUPAC name is 4-aminobut-2-enamide;hydrochloride.

Molecular Properties

Compound Name4-aminobut-2-enamide;hydrochloride
PubChem CID171148089
Molecular FormulaC4H9ClN2O
Molecular Weight136.58 g/mol
Exact Mass136.04
IUPAC Name4-aminobut-2-enamide;hydrochloride
SMILESCl.NCC=CC(N)=O
InChIInChI=1S/C4H8N2O.ClH/c5-3-1-2-4(6)7;/h1-2H,3,5H2,(H2,6,7);1H
InChIKeyZNZUZMNEYUKYST-UHFFFAOYSA-N
XLogP-0.59
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 5-0.59
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 4-aminobut-2-enamide;hydrochloride?
The IUPAC name of 4-aminobut-2-enamide;hydrochloride (CID 171148089) is 4-aminobut-2-enamide;hydrochloride.
What is the SMILES notation for 4-aminobut-2-enamide;hydrochloride?
The canonical SMILES for 4-aminobut-2-enamide;hydrochloride is Cl.NCC=CC(N)=O.
What is the InChIKey of 4-aminobut-2-enamide;hydrochloride?
The InChIKey is ZNZUZMNEYUKYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.ClH/c5-3-1-2-4(6)7;/h1-2H,3,5H2,(H2,6,7);1H.
What are the key properties of 4-aminobut-2-enamide;hydrochloride?
4-aminobut-2-enamide;hydrochloride has a molecular weight of 136.58 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobut-2-enamide;hydrochloride is sourced from PubChem (CID 171148089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).