3-ethyl-2-oxopentanamide

C7H13NO2 — CID 21120726

IUPAC3-ethyl-2-oxopentanamide
SMILESCCC(CC)C(=O)C(N)=O
InChIInChI=1S/C7H13NO2/c1-3-5(4-2)6(9)7(8)10/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKeyVHFNYXPRTBZCLR-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.48
Rot. Bonds4

About 3-ethyl-2-oxopentanamide

3-ethyl-2-oxopentanamide (PubChem CID 21120726) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-ethyl-2-oxopentanamide.

Molecular Properties

Compound Name3-ethyl-2-oxopentanamide
PubChem CID21120726
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-ethyl-2-oxopentanamide
SMILESCCC(CC)C(=O)C(N)=O
InChIInChI=1S/C7H13NO2/c1-3-5(4-2)6(9)7(8)10/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKeyVHFNYXPRTBZCLR-UHFFFAOYSA-N
XLogP0.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxopentanamide?
The IUPAC name of 3-ethyl-2-oxopentanamide (CID 21120726) is 3-ethyl-2-oxopentanamide.
What is the SMILES notation for 3-ethyl-2-oxopentanamide?
The canonical SMILES for 3-ethyl-2-oxopentanamide is CCC(CC)C(=O)C(N)=O.
What is the InChIKey of 3-ethyl-2-oxopentanamide?
The InChIKey is VHFNYXPRTBZCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5(4-2)6(9)7(8)10/h5H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of 3-ethyl-2-oxopentanamide?
3-ethyl-2-oxopentanamide has a molecular weight of 143.19 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxopentanamide is sourced from PubChem (CID 21120726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).