N-formyl-N-methylbutanamide

C6H11NO2 — CID 89146862

IUPACN-formyl-N-methylbutanamide
SMILESCCCC(=O)N(C)C=O
InChIInChI=1S/C6H11NO2/c1-3-4-6(9)7(2)5-8/h5H,3-4H2,1-2H3
InChIKeyQLLZJJXNRAFLEW-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.40
Rot. Bonds3

About N-formyl-N-methylbutanamide

N-formyl-N-methylbutanamide (PubChem CID 89146862) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-formyl-N-methylbutanamide.

Molecular Properties

Compound NameN-formyl-N-methylbutanamide
PubChem CID89146862
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-formyl-N-methylbutanamide
SMILESCCCC(=O)N(C)C=O
InChIInChI=1S/C6H11NO2/c1-3-4-6(9)7(2)5-8/h5H,3-4H2,1-2H3
InChIKeyQLLZJJXNRAFLEW-UHFFFAOYSA-N
XLogP0.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.40
H-Bond Donors ≤ 50
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-formyl-N-methylbutanamide?
The IUPAC name of N-formyl-N-methylbutanamide (CID 89146862) is N-formyl-N-methylbutanamide.
What is the SMILES notation for N-formyl-N-methylbutanamide?
The canonical SMILES for N-formyl-N-methylbutanamide is CCCC(=O)N(C)C=O.
What is the InChIKey of N-formyl-N-methylbutanamide?
The InChIKey is QLLZJJXNRAFLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-6(9)7(2)5-8/h5H,3-4H2,1-2H3.
What are the key properties of N-formyl-N-methylbutanamide?
N-formyl-N-methylbutanamide has a molecular weight of 129.16 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-methylbutanamide is sourced from PubChem (CID 89146862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).