N-ethyl-2-methyl-3-methylidene-4-oxopentanamide

C9H15NO2 — CID 23452228

IUPACN-ethyl-2-methyl-3-methylidene-4-oxopentanamide
SMILESC=C(C(C)=O)C(C)C(=O)NCC
InChIInChI=1S/C9H15NO2/c1-5-10-9(12)7(3)6(2)8(4)11/h7H,2,5H2,1,3-4H3,(H,10,12)
InChIKeyWONUHLJJNJGCCA-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.90
Rot. Bonds4

About N-ethyl-2-methyl-3-methylidene-4-oxopentanamide

N-ethyl-2-methyl-3-methylidene-4-oxopentanamide (PubChem CID 23452228) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-methylidene-4-oxopentanamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-methylidene-4-oxopentanamide
PubChem CID23452228
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-ethyl-2-methyl-3-methylidene-4-oxopentanamide
SMILESC=C(C(C)=O)C(C)C(=O)NCC
InChIInChI=1S/C9H15NO2/c1-5-10-9(12)7(3)6(2)8(4)11/h7H,2,5H2,1,3-4H3,(H,10,12)
InChIKeyWONUHLJJNJGCCA-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-methylidene-4-oxopentanamide?
The IUPAC name of N-ethyl-2-methyl-3-methylidene-4-oxopentanamide (CID 23452228) is N-ethyl-2-methyl-3-methylidene-4-oxopentanamide.
What is the SMILES notation for N-ethyl-2-methyl-3-methylidene-4-oxopentanamide?
The canonical SMILES for N-ethyl-2-methyl-3-methylidene-4-oxopentanamide is C=C(C(C)=O)C(C)C(=O)NCC.
What is the InChIKey of N-ethyl-2-methyl-3-methylidene-4-oxopentanamide?
The InChIKey is WONUHLJJNJGCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-5-10-9(12)7(3)6(2)8(4)11/h7H,2,5H2,1,3-4H3,(H,10,12).
What are the key properties of N-ethyl-2-methyl-3-methylidene-4-oxopentanamide?
N-ethyl-2-methyl-3-methylidene-4-oxopentanamide has a molecular weight of 169.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-methylidene-4-oxopentanamide is sourced from PubChem (CID 23452228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).