N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide

C10H15NO3 — CID 135083762

IUPACN-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide
SMILESCC(=O)/C=C(\C)N(CCC=O)C(C)=O
InChIInChI=1S/C10H15NO3/c1-8(7-9(2)13)11(10(3)14)5-4-6-12/h6-7H,4-5H2,1-3H3/b8-7+
InChIKeyKZLAFOCKXXOGGR-BQYQJAHWSA-N
MW197.23 g/mol
LogP0.92
Rot. Bonds5

About N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide

N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide (PubChem CID 135083762) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide.

Molecular Properties

Compound NameN-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide
PubChem CID135083762
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide
SMILESCC(=O)/C=C(\C)N(CCC=O)C(C)=O
InChIInChI=1S/C10H15NO3/c1-8(7-9(2)13)11(10(3)14)5-4-6-12/h6-7H,4-5H2,1-3H3/b8-7+
InChIKeyKZLAFOCKXXOGGR-BQYQJAHWSA-N
XLogP0.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.92
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 N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide?
The IUPAC name of N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide (CID 135083762) is N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide.
What is the SMILES notation for N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide?
The canonical SMILES for N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide is CC(=O)/C=C(\C)N(CCC=O)C(C)=O.
What is the InChIKey of N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide?
The InChIKey is KZLAFOCKXXOGGR-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8(7-9(2)13)11(10(3)14)5-4-6-12/h6-7H,4-5H2,1-3H3/b8-7+.
What are the key properties of N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide?
N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide has a molecular weight of 197.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide is sourced from PubChem (CID 135083762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).