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

C6H10N2O2 — CID 55289777

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

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

N-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide (PubChem CID 55289777) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide
PubChem CID55289777
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide
SMILESCC(=O)N/C(C=O)=C(/C)N
InChIInChI=1S/C6H10N2O2/c1-4(7)6(3-9)8-5(2)10/h3H,7H2,1-2H3,(H,8,10)/b6-4-
InChIKeyOANUYUVFABGQBF-XQRVVYSFSA-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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-4-oxobut-2-en-2-yl]acetamide
CID 89080117
N-[(Z)-3-methyl-4-oxobut-2-en-2-yl]acetamide
CID 135010132
N-(3-methyl-1-oxobut-2-en-2-yl)acetamide
CID 23567764
N-[(E)-3-methyl-4-oxobut-2-en-2-yl]acetamide
CID 57560576
N-(3-methyl-4-oxobut-2-en-2-yl)acetamide
CID 57560617
N-[(E)-4-oxobut-2-en-2-yl]acetamide
CID 89080248
N-[(Z)-1-oxobut-2-en-2-yl]acetamide
CID 89139550
N-(1-oxobut-2-en-2-yl)acetamide
CID 173256146
N-[(Z)-3-amino-1-oxobut-2-en-2-yl]formamide
CID 55289769
N-[(E)-3-amino-1-oxobut-2-en-2-yl]acetamide
CID 133613531

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide (CID 55289777) is N-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide is CC(=O)N/C(C=O)=C(/C)N.
What is the InChIKey of N-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide?
The InChIKey is OANUYUVFABGQBF-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(7)6(3-9)8-5(2)10/h3H,7H2,1-2H3,(H,8,10)/b6-4-.
What are the key properties of N-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide?
N-[(Z)-3-amino-1-oxobut-2-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)-3-amino-1-oxobut-2-en-2-yl]acetamide is sourced from PubChem (CID 55289777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).