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

C7H12N2O2 — CID 13483380

IUPACN-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide
SMILESCN/C=C(\NC(C)=O)C(C)=O
InChIInChI=1S/C7H12N2O2/c1-5(10)7(4-8-3)9-6(2)11/h4,8H,1-3H3,(H,9,11)/b7-4-
InChIKeyZETDAHRGSFXIME-DAXSKMNVSA-N
MW156.18 g/mol
LogP-0.23
Rot. Bonds3

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

N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide (PubChem CID 13483380) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide
PubChem CID13483380
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC NameN-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide
SMILESCN/C=C(\NC(C)=O)C(C)=O
InChIInChI=1S/C7H12N2O2/c1-5(10)7(4-8-3)9-6(2)11/h4,8H,1-3H3,(H,9,11)/b7-4-
InChIKeyZETDAHRGSFXIME-DAXSKMNVSA-N
XLogP-0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.23
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-(methylamino)-3-oxobut-1-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide (CID 13483380) is N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide is CN/C=C(\NC(C)=O)C(C)=O.
What is the InChIKey of N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide?
The InChIKey is ZETDAHRGSFXIME-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(10)7(4-8-3)9-6(2)11/h4,8H,1-3H3,(H,9,11)/b7-4-.
What are the key properties of N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide?
N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide has a molecular weight of 156.18 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(methylamino)-3-oxobut-1-en-2-yl]acetamide is sourced from PubChem (CID 13483380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).