N-formyl-N-methylpropanamide

C5H9NO2 — CID 58781694

IUPACN-formyl-N-methylpropanamide
SMILESCCC(=O)N(C)C=O
InChIInChI=1S/C5H9NO2/c1-3-5(8)6(2)4-7/h4H,3H2,1-2H3
InChIKeyQQXVKJIVOAYVCS-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.01
Rot. Bonds2

About N-formyl-N-methylpropanamide

N-formyl-N-methylpropanamide (PubChem CID 58781694) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-formyl-N-methylpropanamide.

Molecular Properties

Compound NameN-formyl-N-methylpropanamide
PubChem CID58781694
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-formyl-N-methylpropanamide
SMILESCCC(=O)N(C)C=O
InChIInChI=1S/C5H9NO2/c1-3-5(8)6(2)4-7/h4H,3H2,1-2H3
InChIKeyQQXVKJIVOAYVCS-UHFFFAOYSA-N
XLogP0.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.01
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-methylpropanamide?
The IUPAC name of N-formyl-N-methylpropanamide (CID 58781694) is N-formyl-N-methylpropanamide.
What is the SMILES notation for N-formyl-N-methylpropanamide?
The canonical SMILES for N-formyl-N-methylpropanamide is CCC(=O)N(C)C=O.
What is the InChIKey of N-formyl-N-methylpropanamide?
The InChIKey is QQXVKJIVOAYVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-5(8)6(2)4-7/h4H,3H2,1-2H3.
What are the key properties of N-formyl-N-methylpropanamide?
N-formyl-N-methylpropanamide has a molecular weight of 115.13 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-methylpropanamide is sourced from PubChem (CID 58781694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).