N-methyl-N-(3-oxopent-1-enyl)acetamide

C8H13NO2 — CID 71399700

IUPACN-methyl-N-(3-oxopent-1-enyl)acetamide
SMILESCCC(=O)C=CN(C)C(C)=O
InChIInChI=1S/C8H13NO2/c1-4-8(11)5-6-9(3)7(2)10/h5-6H,4H2,1-3H3
InChIKeyIKJBNVIZKBQQRG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.96
Rot. Bonds3

About N-methyl-N-(3-oxopent-1-enyl)acetamide

N-methyl-N-(3-oxopent-1-enyl)acetamide (PubChem CID 71399700) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-methyl-N-(3-oxopent-1-enyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-oxopent-1-enyl)acetamide
PubChem CID71399700
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-methyl-N-(3-oxopent-1-enyl)acetamide
SMILESCCC(=O)C=CN(C)C(C)=O
InChIInChI=1S/C8H13NO2/c1-4-8(11)5-6-9(3)7(2)10/h5-6H,4H2,1-3H3
InChIKeyIKJBNVIZKBQQRG-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-methyl-N-(3-oxopent-1-enyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-oxopent-1-enyl)acetamide?
The IUPAC name of N-methyl-N-(3-oxopent-1-enyl)acetamide (CID 71399700) is N-methyl-N-(3-oxopent-1-enyl)acetamide.
What is the SMILES notation for N-methyl-N-(3-oxopent-1-enyl)acetamide?
The canonical SMILES for N-methyl-N-(3-oxopent-1-enyl)acetamide is CCC(=O)C=CN(C)C(C)=O.
What is the InChIKey of N-methyl-N-(3-oxopent-1-enyl)acetamide?
The InChIKey is IKJBNVIZKBQQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-8(11)5-6-9(3)7(2)10/h5-6H,4H2,1-3H3.
What are the key properties of N-methyl-N-(3-oxopent-1-enyl)acetamide?
N-methyl-N-(3-oxopent-1-enyl)acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-oxopent-1-enyl)acetamide is sourced from PubChem (CID 71399700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).