N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide

C7H11NO3 — CID 11159457

IUPACN-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide
SMILESCO/C(=C/C(C)=O)NC(C)=O
InChIInChI=1S/C7H11NO3/c1-5(9)4-7(11-3)8-6(2)10/h4H,1-3H3,(H,8,10)/b7-4+
InChIKeyOJXGUUOHLXZWRW-QPJJXVBHSA-N
MW157.17 g/mol
LogP0.20
Rot. Bonds3

About N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide

N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide (PubChem CID 11159457) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide
PubChem CID11159457
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide
SMILESCO/C(=C/C(C)=O)NC(C)=O
InChIInChI=1S/C7H11NO3/c1-5(9)4-7(11-3)8-6(2)10/h4H,1-3H3,(H,8,10)/b7-4+
InChIKeyOJXGUUOHLXZWRW-QPJJXVBHSA-N
XLogP0.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide?
The IUPAC name of N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide (CID 11159457) is N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide?
The canonical SMILES for N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide is CO/C(=C/C(C)=O)NC(C)=O.
What is the InChIKey of N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide?
The InChIKey is OJXGUUOHLXZWRW-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(9)4-7(11-3)8-6(2)10/h4H,1-3H3,(H,8,10)/b7-4+.
What are the key properties of N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide?
N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide has a molecular weight of 157.17 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-methoxy-3-oxobut-1-enyl]acetamide is sourced from PubChem (CID 11159457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).