N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide

C6H10N2O2 — CID 55288608

IUPACN-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\N)C(C)=O
InChIInChI=1S/C6H10N2O2/c1-4(9)6(3-7)8-5(2)10/h3H,7H2,1-2H3,(H,8,10)/b6-3-
InChIKeyBWDIKWMSKZFPJG-UTCJRWHESA-N
MW142.16 g/mol
LogP-0.49
Rot. Bonds2

About N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide

N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide (PubChem CID 55288608) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide
PubChem CID55288608
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\N)C(C)=O
InChIInChI=1S/C6H10N2O2/c1-4(9)6(3-7)8-5(2)10/h3H,7H2,1-2H3,(H,8,10)/b6-3-
InChIKeyBWDIKWMSKZFPJG-UTCJRWHESA-N
XLogP-0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide (CID 55288608) is N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide is CC(=O)N/C(=C\N)C(C)=O.
What is the InChIKey of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide?
The InChIKey is BWDIKWMSKZFPJG-UTCJRWHESA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(9)6(3-7)8-5(2)10/h3H,7H2,1-2H3,(H,8,10)/b6-3-.
What are the key properties of N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide?
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide has a molecular weight of 142.16 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-oxobut-1-en-2-yl]acetamide is sourced from PubChem (CID 55288608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).