(Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide

C8H11NO3 — CID 134388314

IUPAC(Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide
SMILESCN(CCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C8H11NO3/c1-9(5-3-7-11)8(12)4-2-6-10/h2,4,6-7H,3,5H2,1H3/b4-2-
InChIKeyKGAFSEDOEUBKQD-RQOWECAXSA-N
MW169.18 g/mol
LogP-0.21
Rot. Bonds5

About (Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide

(Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide (PubChem CID 134388314) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide
PubChem CID134388314
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide
SMILESCN(CCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C8H11NO3/c1-9(5-3-7-11)8(12)4-2-6-10/h2,4,6-7H,3,5H2,1H3/b4-2-
InChIKeyKGAFSEDOEUBKQD-RQOWECAXSA-N
XLogP-0.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide?
The IUPAC name of (Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide (CID 134388314) is (Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide.
What is the SMILES notation for (Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide?
The canonical SMILES for (Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide is CN(CCC=O)C(=O)/C=C\C=O.
What is the InChIKey of (Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide?
The InChIKey is KGAFSEDOEUBKQD-RQOWECAXSA-N. The full InChI is InChI=1S/C8H11NO3/c1-9(5-3-7-11)8(12)4-2-6-10/h2,4,6-7H,3,5H2,1H3/b4-2-.
What are the key properties of (Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide?
(Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide has a molecular weight of 169.18 g/mol, XLogP of -0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-oxo-N-(3-oxopropyl)but-2-enamide is sourced from PubChem (CID 134388314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).