2-oxo-N-(2-oxopropyl)butanamide

C7H11NO3 — CID 20750672

IUPAC2-oxo-N-(2-oxopropyl)butanamide
SMILESCCC(=O)C(=O)NCC(C)=O
InChIInChI=1S/C7H11NO3/c1-3-6(10)7(11)8-4-5(2)9/h3-4H2,1-2H3,(H,8,11)
InChIKeyKEYDFAUBGNSVOM-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.33
Rot. Bonds4

About 2-oxo-N-(2-oxopropyl)butanamide

2-oxo-N-(2-oxopropyl)butanamide (PubChem CID 20750672) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-oxo-N-(2-oxopropyl)butanamide.

Molecular Properties

Compound Name2-oxo-N-(2-oxopropyl)butanamide
PubChem CID20750672
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-oxo-N-(2-oxopropyl)butanamide
SMILESCCC(=O)C(=O)NCC(C)=O
InChIInChI=1S/C7H11NO3/c1-3-6(10)7(11)8-4-5(2)9/h3-4H2,1-2H3,(H,8,11)
InChIKeyKEYDFAUBGNSVOM-UHFFFAOYSA-N
XLogP-0.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-oxo-N-(2-oxopropyl)butanamide?
The IUPAC name of 2-oxo-N-(2-oxopropyl)butanamide (CID 20750672) is 2-oxo-N-(2-oxopropyl)butanamide.
What is the SMILES notation for 2-oxo-N-(2-oxopropyl)butanamide?
The canonical SMILES for 2-oxo-N-(2-oxopropyl)butanamide is CCC(=O)C(=O)NCC(C)=O.
What is the InChIKey of 2-oxo-N-(2-oxopropyl)butanamide?
The InChIKey is KEYDFAUBGNSVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-6(10)7(11)8-4-5(2)9/h3-4H2,1-2H3,(H,8,11).
What are the key properties of 2-oxo-N-(2-oxopropyl)butanamide?
2-oxo-N-(2-oxopropyl)butanamide has a molecular weight of 157.17 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-oxopropyl)butanamide is sourced from PubChem (CID 20750672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).