N,2-dimethyl-4-oxobutanamide

C6H11NO2 — CID 20693315

IUPACN,2-dimethyl-4-oxobutanamide
SMILESCNC(=O)C(C)CC=O
InChIInChI=1S/C6H11NO2/c1-5(3-4-8)6(9)7-2/h4-5H,3H2,1-2H3,(H,7,9)
InChIKeyFAEIFQQLJNTQCN-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.04
Rot. Bonds3

About N,2-dimethyl-4-oxobutanamide

N,2-dimethyl-4-oxobutanamide (PubChem CID 20693315) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N,2-dimethyl-4-oxobutanamide.

Molecular Properties

Compound NameN,2-dimethyl-4-oxobutanamide
PubChem CID20693315
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN,2-dimethyl-4-oxobutanamide
SMILESCNC(=O)C(C)CC=O
InChIInChI=1S/C6H11NO2/c1-5(3-4-8)6(9)7-2/h4-5H,3H2,1-2H3,(H,7,9)
InChIKeyFAEIFQQLJNTQCN-UHFFFAOYSA-N
XLogP-0.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-oxobutanamide?
The IUPAC name of N,2-dimethyl-4-oxobutanamide (CID 20693315) is N,2-dimethyl-4-oxobutanamide.
What is the SMILES notation for N,2-dimethyl-4-oxobutanamide?
The canonical SMILES for N,2-dimethyl-4-oxobutanamide is CNC(=O)C(C)CC=O.
What is the InChIKey of N,2-dimethyl-4-oxobutanamide?
The InChIKey is FAEIFQQLJNTQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(3-4-8)6(9)7-2/h4-5H,3H2,1-2H3,(H,7,9).
What are the key properties of N,2-dimethyl-4-oxobutanamide?
N,2-dimethyl-4-oxobutanamide has a molecular weight of 129.16 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-oxobutanamide is sourced from PubChem (CID 20693315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).