2-methyl-N-oxidopropanamide

C4H8NO2- — CID 15246480

IUPAC2-methyl-N-oxidopropanamide
SMILESCC(C)C(=O)N[O-]
InChIInChI=1S/C4H8NO2/c1-3(2)4(6)5-7/h3H,1-2H3,(H-,5,6,7)/q-1
InChIKeyCBDKPUCICFIJOL-UHFFFAOYSA-N
MW102.11 g/mol
LogP0.26
Rot. Bonds1

About 2-methyl-N-oxidopropanamide

2-methyl-N-oxidopropanamide (PubChem CID 15246480) has the molecular formula C4H8NO2- and a molecular weight of 102.11 g/mol. Its IUPAC name is 2-methyl-N-oxidopropanamide.

Molecular Properties

Compound Name2-methyl-N-oxidopropanamide
PubChem CID15246480
Molecular FormulaC4H8NO2-
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name2-methyl-N-oxidopropanamide
SMILESCC(C)C(=O)N[O-]
InChIInChI=1S/C4H8NO2/c1-3(2)4(6)5-7/h3H,1-2H3,(H-,5,6,7)/q-1
InChIKeyCBDKPUCICFIJOL-UHFFFAOYSA-N
XLogP0.26
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-oxidopropanamide?
The IUPAC name of 2-methyl-N-oxidopropanamide (CID 15246480) is 2-methyl-N-oxidopropanamide.
What is the SMILES notation for 2-methyl-N-oxidopropanamide?
The canonical SMILES for 2-methyl-N-oxidopropanamide is CC(C)C(=O)N[O-].
What is the InChIKey of 2-methyl-N-oxidopropanamide?
The InChIKey is CBDKPUCICFIJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2/c1-3(2)4(6)5-7/h3H,1-2H3,(H-,5,6,7)/q-1.
What are the key properties of 2-methyl-N-oxidopropanamide?
2-methyl-N-oxidopropanamide has a molecular weight of 102.11 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-oxidopropanamide is sourced from PubChem (CID 15246480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).