(Z)-3-aminobut-2-enamide

C4H8N2O — CID 5367805

IUPAC(Z)-3-aminobut-2-enamide
SMILESC/C(N)=C/C(N)=O
InChIInChI=1S/C4H8N2O/c1-3(5)2-4(6)7/h2H,5H2,1H3,(H2,6,7)/b3-2-
InChIKeyUAUSQEVPWPGBHG-IHWYPQMZSA-N
MW100.12 g/mol
LogP-0.67
Rot. Bonds1

About (Z)-3-aminobut-2-enamide

(Z)-3-aminobut-2-enamide (PubChem CID 5367805) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (Z)-3-aminobut-2-enamide.

Molecular Properties

Compound Name(Z)-3-aminobut-2-enamide
PubChem CID5367805
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(Z)-3-aminobut-2-enamide
SMILESC/C(N)=C/C(N)=O
InChIInChI=1S/C4H8N2O/c1-3(5)2-4(6)7/h2H,5H2,1H3,(H2,6,7)/b3-2-
InChIKeyUAUSQEVPWPGBHG-IHWYPQMZSA-N
XLogP-0.67
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.67
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 (Z)-3-aminobut-2-enamide?
The IUPAC name of (Z)-3-aminobut-2-enamide (CID 5367805) is (Z)-3-aminobut-2-enamide.
What is the SMILES notation for (Z)-3-aminobut-2-enamide?
The canonical SMILES for (Z)-3-aminobut-2-enamide is C/C(N)=C/C(N)=O.
What is the InChIKey of (Z)-3-aminobut-2-enamide?
The InChIKey is UAUSQEVPWPGBHG-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3(5)2-4(6)7/h2H,5H2,1H3,(H2,6,7)/b3-2-.
What are the key properties of (Z)-3-aminobut-2-enamide?
(Z)-3-aminobut-2-enamide has a molecular weight of 100.12 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-aminobut-2-enamide is sourced from PubChem (CID 5367805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).