N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide

C8H11NO2 — CID 155723594

IUPACN-ethenyl-N-methyl-2-methylidene-3-oxobutanamide
SMILESC=CN(C)C(=O)C(=C)C(C)=O
InChIInChI=1S/C8H11NO2/c1-5-9(4)8(11)6(2)7(3)10/h5H,1-2H2,3-4H3
InChIKeyIJWUYOXHSRLYAE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.73
Rot. Bonds3

About N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide

N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide (PubChem CID 155723594) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide.

Molecular Properties

Compound NameN-ethenyl-N-methyl-2-methylidene-3-oxobutanamide
PubChem CID155723594
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-ethenyl-N-methyl-2-methylidene-3-oxobutanamide
SMILESC=CN(C)C(=O)C(=C)C(C)=O
InChIInChI=1S/C8H11NO2/c1-5-9(4)8(11)6(2)7(3)10/h5H,1-2H2,3-4H3
InChIKeyIJWUYOXHSRLYAE-UHFFFAOYSA-N
XLogP0.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide?
The IUPAC name of N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide (CID 155723594) is N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide.
What is the SMILES notation for N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide?
The canonical SMILES for N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide is C=CN(C)C(=O)C(=C)C(C)=O.
What is the InChIKey of N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide?
The InChIKey is IJWUYOXHSRLYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-9(4)8(11)6(2)7(3)10/h5H,1-2H2,3-4H3.
What are the key properties of N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide?
N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide has a molecular weight of 153.18 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide is sourced from PubChem (CID 155723594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).