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

C6H9NO2 — CID 89139550

IUPACN-[(Z)-1-oxobut-2-en-2-yl]acetamide
SMILESC/C=C(/C=O)NC(C)=O
InChIInChI=1S/C6H9NO2/c1-3-6(4-8)7-5(2)9/h3-4H,1-2H3,(H,7,9)/b6-3-
InChIKeyBIBFLXMQISUGPG-UTCJRWHESA-N
MW127.14 g/mol
LogP0.23
Rot. Bonds2

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

N-[(Z)-1-oxobut-2-en-2-yl]acetamide (PubChem CID 89139550) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is N-[(Z)-1-oxobut-2-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-oxobut-2-en-2-yl]acetamide
PubChem CID89139550
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC NameN-[(Z)-1-oxobut-2-en-2-yl]acetamide
SMILESC/C=C(/C=O)NC(C)=O
InChIInChI=1S/C6H9NO2/c1-3-6(4-8)7-5(2)9/h3-4H,1-2H3,(H,7,9)/b6-3-
InChIKeyBIBFLXMQISUGPG-UTCJRWHESA-N
XLogP0.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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N-acetyl-2-aminopropenal
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N-[(Z)-3-amino-1-oxobut-2-en-2-yl]acetamide
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N-(3-methyl-1-oxobut-2-en-2-yl)acetamide
CID 23567764
N-[(E)-4-oxobut-2-en-2-yl]acetamide
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N-[(Z)-1-oxobut-2-en-2-yl]formamide
CID 89201302
N-(3-oxoprop-1-en-2-yl)prop-2-enamide
CID 173055976
N-(1-oxobut-2-en-2-yl)acetamide
CID 173256146
2-methyl-N-(1-oxobut-2-en-2-yl)prop-2-enamide
CID 174526956
N-(2-Formyl-6-hydroxypyridin-4-YL)acetamide
CID 72215491
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CID 133613531

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-oxobut-2-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-1-oxobut-2-en-2-yl]acetamide (CID 89139550) is N-[(Z)-1-oxobut-2-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-1-oxobut-2-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-1-oxobut-2-en-2-yl]acetamide is C/C=C(/C=O)NC(C)=O.
What is the InChIKey of N-[(Z)-1-oxobut-2-en-2-yl]acetamide?
The InChIKey is BIBFLXMQISUGPG-UTCJRWHESA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-6(4-8)7-5(2)9/h3-4H,1-2H3,(H,7,9)/b6-3-.
What are the key properties of N-[(Z)-1-oxobut-2-en-2-yl]acetamide?
N-[(Z)-1-oxobut-2-en-2-yl]acetamide has a molecular weight of 127.14 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-oxobut-2-en-2-yl]acetamide is sourced from PubChem (CID 89139550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).